[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C26H21ClN2O6 MolecularWeight: 492.90774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H21ClN2O6/c1-34-22-10-8-18(14-21(22)27)28-23(30)15-35-26(33)17-7-9-19-20(13-17)25(32)29(24(19)31)12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12,15H2,1H3,(H,28,30)