ethyl 4-[1-[(4-methylphenyl)amino]-3-oxidanylidene-1H-isoindol-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(4-methylphenyl)amino]-3-oxidanylidene-1H-isoindol-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[1-(4-methylanilino)-3-oxo-isoindolin-2-yl]piperidine-1-carboxylate CAS Name: 4-[1-(4-methylanilino)-3-oxo-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-methylanilino)-3-oxo-1H-isoindol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[1-keto-3-(p-toluidino)isoindolin-2-yl]piperidine-1-carboxylic acid ethyl ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C

InChI

InChI=1S/C23H27N3O3/c1-3-29-23(28)25-14-12-18(13-15-25)26-21(24-17-10-8-16(2)9-11-17)19-6-4-5-7-20(19)22(26)27/h4-11,18,21,24H,3,12-15H2,1-2H3