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

Systemtic Name: 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoic acid Openeye Name: 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid CAS Name: 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid IUPAC Name: 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid Traditional Name: 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-keto-1,4-dihydroisoquinolin-2-yl]benzoic acid Formula: C30H33NO7 MolecularWeight: 519.58552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=C(C=C4)C(=O)O)OCC)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=C(C=C4)C(=O)O)OCC)OCC)OCC

InChI

InChI=1S/C30H33NO7/c1-5-35-24-14-11-20(15-25(24)36-6-2)29-23-18-27(38-8-4)26(37-7-3)16-21(23)17-28(32)31(29)22-12-9-19(10-13-22)30(33)34/h9-16,18,29H,5-8,17H2,1-4H3,(H,33,34)