ethyl 1-[4-[[3-oxidanylidene-2-(4-phenylbutan-2-yl)-1H-isoindol-1-yl]amino]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[[3-oxidanylidene-2-(4-phenylbutan-2-yl)-1H-isoindol-1-yl]amino]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[[2-(1-methyl-3-phenyl-propyl)-3-oxo-isoindolin-1-yl]amino]benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[4-[[3-oxo-2-(4-phenylbutan-2-yl)-1H-isoindol-1-yl]amino]phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[3-oxo-2-(4-phenylbutan-2-yl)-1H-isoindol-1-yl]amino]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[[3-keto-2-(1-methyl-3-phenyl-propyl)isoindolin-1-yl]amino]benzoyl]nipecotic acid ethyl ester Formula: C33H37N3O4 MolecularWeight: 539.66458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3C(C)CCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3C(C)CCC5=CC=CC=C5

InChI

InChI=1S/C33H37N3O4/c1-3-40-33(39)26-12-9-21-35(22-26)31(37)25-17-19-27(20-18-25)34-30-28-13-7-8-14-29(28)32(38)36(30)23(2)15-16-24-10-5-4-6-11-24/h4-8,10-11,13-14,17-20,23,26,30,34H,3,9,12,15-16,21-22H2,1-2H3