[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-cyclohexyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-cyclohexyl-1,3-dioxo-5-isoindolecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-cyclohexyl-1,3-diketo-isoindoline-5-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H21N3O5/c25-13-15-5-4-6-17(11-15)26-21(28)14-32-24(31)16-9-10-19-20(12-16)23(30)27(22(19)29)18-7-2-1-3-8-18/h4-6,9-12,18H,1-3,7-8,14H2,(H,26,28)