ethyl 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)carbonyl-heptanoate

Systemtic Name: ethyl 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)carbonyl-heptanoate Openeye Name: ethyl 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxybenzoyl)heptanoate CAS Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3,4-dimethoxyphenyl)-oxomethyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxybenzoyl)heptanoate Traditional Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-veratroyl-enanthic acid ethyl ester Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCN1CCC2=CC=CC=C2C1)C(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C(CCCCCN1CCC2=CC=CC=C2C1)C(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H35NO5/c1-4-33-27(30)23(26(29)21-13-14-24(31-2)25(18-21)32-3)12-6-5-9-16-28-17-15-20-10-7-8-11-22(20)19-28/h7-8,10-11,13-14,18,23H,4-6,9,12,15-17,19H2,1-3H3