2-(3,4,5-triethoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(3,4,5-triethoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3,4,5-triethoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[oxo-(3,4,5-triethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(3,4,5-triethoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(3,4,5-triethoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C23H27NO6 MolecularWeight: 413.46358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

InChI

InChI=1S/C23H27NO6/c1-4-28-19-12-17(13-20(29-5-2)21(19)30-6-3)22(25)24-14-16-10-8-7-9-15(16)11-18(24)23(26)27/h7-10,12-13,18H,4-6,11,14H2,1-3H3,(H,26,27)