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

Systemtic Name: 4-[6,7-diethoxy-1-(4-methoxyphenyl)-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoic acid Openeye Name: 4-[6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid CAS Name: 4-[6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid IUPAC Name: 4-[6,7-diethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid Traditional Name: 4-[6,7-diethoxy-3-keto-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-2-yl]benzoic acid Formula: C27H27NO6 MolecularWeight: 461.50638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO6/c1-4-33-23-14-19-15-25(29)28(20-10-6-18(7-11-20)27(30)31)26(22(19)16-24(23)34-5-2)17-8-12-21(32-3)13-9-17/h6-14,16,26H,4-5,15H2,1-3H3,(H,30,31)