ethyl 4-[1-[(3,5-dimethylphenyl)amino]-3-oxidanylidene-1H-isoindol-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(3,5-dimethylphenyl)amino]-3-oxidanylidene-1H-isoindol-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[1-(3,5-dimethylanilino)-3-oxo-isoindolin-2-yl]piperidine-1-carboxylate CAS Name: 4-[1-(3,5-dimethylanilino)-3-oxo-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3,5-dimethylanilino)-3-oxo-1H-isoindol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[1-(3,5-dimethylanilino)-3-keto-isoindolin-2-yl]piperidine-1-carboxylic acid ethyl ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3/c1-4-30-24(29)26-11-9-19(10-12-26)27-22(20-7-5-6-8-21(20)23(27)28)25-18-14-16(2)13-17(3)15-18/h5-8,13-15,19,22,25H,4,9-12H2,1-3H3