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

Systemtic Name: ethyl 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoate Openeye Name: ethyl 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate CAS Name: 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate Traditional Name: 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-keto-1,4-dihydroisoquinolin-2-yl]benzoic acid ethyl ester Formula: C32H37NO7 MolecularWeight: 547.63868

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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)OCC)OCC)OCC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C32H37NO7/c1-6-36-26-16-13-22(17-27(26)37-7-2)31-25-20-29(39-9-4)28(38-8-3)18-23(25)19-30(34)33(31)24-14-11-21(12-15-24)32(35)40-10-5/h11-18,20,31H,6-10,19H2,1-5H3