Name: Name:2-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid
Brand: Angene
SKU: AG01A2O7
Rating: 90 (10 reviews)

2-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:

1311885-02-5

Catalog Number:

AG01A2O7

Molecular Formula:

C18H23NO6

Molecular Weight:

349.3783

Catalog Number:

AG01A2O7

Chemical Name:

2-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid

CAS Number:

1311885-02-5

Molecular Formula:

C18H23NO6

Molecular Weight:

349.3783

MDL Number:

MFCD22578673

IUPAC Name:

2-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C18H23NO6/c1-23-8-3-7-19-15(20)11-13(18(21)22)16(19)12-5-2-6-14-17(12)25-10-4-9-24-14/h2,5-6,13,16H,3-4,7-11H2,1H3,(H,21,22)

InChI Key:

WZSWXRRYVLSEFU-UHFFFAOYSA-N

SMILES:

COCCCN1C(=O)CC(C1c1cccc2c1OCCCO2)C(=O)O

Complexity:

484

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

349.153g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

349.383g/mol

Monoisotopic Mass:

349.153g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8