Name: Name:2-tert-butyl 4-methyl 3,4-dihydroisoquinoline-2,4(1H)-dicarboxylate
Brand: Angene
SKU: AG01DTIZ
Rating: 90 (10 reviews)

2-tert-butyl 4-methyl 3,4-dihydroisoquinoline-2,4(1H)-dicarboxylate

CAS No.:

936828-99-8

Catalog Number:

AG01DTIZ

Molecular Formula:

C16H21NO4

Molecular Weight:

291.3422

Catalog Number:

AG01DTIZ

Chemical Name:

2-tert-butyl 4-methyl 3,4-dihydroisoquinoline-2,4(1H)-dicarboxylate

CAS Number:

936828-99-8

Molecular Formula:

C16H21NO4

Molecular Weight:

291.3422

IUPAC Name:

2-O-tert-butyl 4-O-methyl 3,4-dihydro-1H-isoquinoline-2,4-dicarboxylate

InChI:

InChI=1S/C16H21NO4/c1-16(2,3)21-15(19)17-9-11-7-5-6-8-12(11)13(10-17)14(18)20-4/h5-8,13H,9-10H2,1-4H3

InChI Key:

MOQOOHFQAZWRQT-UHFFFAOYSA-N

SMILES:

COC(=O)C1CN(Cc2c1cccc2)C(=O)OC(C)(C)C

Complexity:

402

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

291.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

291.347g/mol

Monoisotopic Mass:

291.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2