Name: Name:2-(((9H-fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Brand: Angene
SKU: AG01AJLL
Rating: 90 (10 reviews)

2-(((9H-fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

CAS No.:

171859-74-8

Catalog Number:

AG01AJLL

Molecular Formula:

C25H21NO4

Molecular Weight:

399.4385

Catalog Number:

AG01AJLL

Chemical Name:

2-(((9H-fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

CAS Number:

171859-74-8

Molecular Formula:

C25H21NO4

Molecular Weight:

399.4385

MDL Number:

MFCD03548229

IUPAC Name:

2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

InChI:

InChI=1S/C25H21NO4/c27-24(28)23-13-16-7-1-2-8-17(16)14-26(23)25(29)30-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22-23H,13-15H2,(H,27,28)

InChI Key:

LIRBCUNCXDZOOU-UHFFFAOYSA-N

SMILES:

OC(=O)C1Cc2ccccc2CN1C(=O)OCC1c2ccccc2c2c1cccc2

Complexity:

629

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

399.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

399.446g/mol

Monoisotopic Mass:

399.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4