ethyl 2-(4-ethoxycarbonylphenyl)-1,3-bis(oxidanylidene)-4-(phenylcarbonyloxy)isoquinoline-4-carboxylate

Systemtic Name: ethyl 2-(4-ethoxycarbonylphenyl)-1,3-bis(oxidanylidene)-4-(phenylcarbonyloxy)isoquinoline-4-carboxylate Openeye Name: ethyl 4-benzoyloxy-2-(4-ethoxycarbonylphenyl)-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 4-benzoyloxy-2-(4-ethoxycarbonylphenyl)-1,3-dioxo-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzoyloxy-2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 4-benzoyloxy-2-(4-carbethoxyphenyl)-1,3-diketo-isoquinoline-4-carboxylic acid ethyl ester Formula: C28H23NO8 MolecularWeight: 501.48412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(C2=O)(C(=O)OCC)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(C2=O)(C(=O)OCC)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H23NO8/c1-3-35-24(31)19-14-16-20(17-15-19)29-23(30)21-12-8-9-13-22(21)28(26(29)33,27(34)36-4-2)37-25(32)18-10-6-5-7-11-18/h5-17H,3-4H2,1-2H3