3-[6,7-diethoxy-3-oxidanylidene-1-(3,4,5-trimethoxyphenyl)-1,4-dihydroisoquinolin-2-yl]benzoic acid

Systemtic Name: 3-[6,7-diethoxy-3-oxidanylidene-1-(3,4,5-trimethoxyphenyl)-1,4-dihydroisoquinolin-2-yl]benzoic acid Openeye Name: 3-[6,7-diethoxy-3-oxo-1-(3,4,5-trimethoxyphenyl)-1,4-dihydroisoquinolin-2-yl]benzoic acid CAS Name: 3-[6,7-diethoxy-3-oxo-1-(3,4,5-trimethoxyphenyl)-1,4-dihydroisoquinolin-2-yl]benzoic acid IUPAC Name: 3-[6,7-diethoxy-3-oxo-1-(3,4,5-trimethoxyphenyl)-1,4-dihydroisoquinolin-2-yl]benzoic acid Traditional Name: 3-[6,7-diethoxy-3-keto-1-(3,4,5-trimethoxyphenyl)-1,4-dihydroisoquinolin-2-yl]benzoic acid Formula: C29H31NO8 MolecularWeight: 521.55834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=CC(=C3)C(=O)O)C4=CC(=C(C(=C4)OC)OC)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=CC(=C3)C(=O)O)C4=CC(=C(C(=C4)OC)OC)OC)OCC

InChI

InChI=1S/C29H31NO8/c1-6-37-22-12-18-15-26(31)30(20-10-8-9-17(11-20)29(32)33)27(21(18)16-23(22)38-7-2)19-13-24(34-3)28(36-5)25(14-19)35-4/h8-14,16,27H,6-7,15H2,1-5H3,(H,32,33)