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

Systemtic Name: ethyl 1-[4-[(3-oxidanylidene-2-propyl-1H-isoindol-1-yl)amino]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(3-oxo-2-propyl-isoindolin-1-yl)amino]benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(3-keto-2-propyl-isoindolin-1-yl)amino]benzoyl]isonipecotic acid ethyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C26H31N3O4/c1-3-15-29-23(21-7-5-6-8-22(21)25(29)31)27-20-11-9-18(10-12-20)24(30)28-16-13-19(14-17-28)26(32)33-4-2/h5-12,19,23,27H,3-4,13-17H2,1-2H3