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

Systemtic Name: ethyl 1-[3-[(3-oxidanylidene-2-propyl-1H-isoindol-1-yl)amino]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(3-oxo-2-propyl-isoindolin-1-yl)amino]benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[3-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[(3-keto-2-propyl-isoindolin-1-yl)amino]benzoyl]nipecotic 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=CC(=C3)C(=O)N4CCCC(C4)C(=O)OCC

Isomeric SMILES

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCCC(C4)C(=O)OCC

InChI

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