7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)carbonyl-heptanoic acid

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)carbonyl-heptanoic acid Openeye Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxybenzoyl)heptanoic acid CAS Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3,4-dimethoxyphenyl)-oxomethyl]heptanoic acid IUPAC Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxybenzoyl)heptanoic acid Traditional Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-veratroyl-enanthic acid Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C(CCCCCN2CCC3=CC=CC=C3C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C(CCCCCN2CCC3=CC=CC=C3C2)C(=O)O)OC

InChI

InChI=1S/C25H31NO5/c1-30-22-12-11-19(16-23(22)31-2)24(27)21(25(28)29)10-4-3-7-14-26-15-13-18-8-5-6-9-20(18)17-26/h5-6,8-9,11-12,16,21H,3-4,7,10,13-15,17H2,1-2H3,(H,28,29)