(4-ethoxycarbonylphenyl) 2-(3-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: (4-ethoxycarbonylphenyl) 2-(3-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: (4-ethoxycarbonylphenyl) 2-(3-methoxyphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(3-methoxyphenyl)-1-oxo-4-isoquinolinecarboxylic acid (4-ethoxycarbonylphenyl) ester IUPAC Name: (4-ethoxycarbonylphenyl) 2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-(3-methoxyphenyl)isoquinoline-4-carboxylic acid (4-carbethoxyphenyl) ester Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H21NO6/c1-3-32-25(29)17-11-13-19(14-12-17)33-26(30)23-16-27(18-7-6-8-20(15-18)31-2)24(28)22-10-5-4-9-21(22)23/h4-16H,3H2,1-2H3