ethyl 1-[4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-isoindolin-1-yl]amino]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[(3-keto-2-piperonyl-isoindolin-1-yl)amino]benzoyl]nipecotic acid ethyl ester Formula: C31H31N3O6 MolecularWeight: 541.59434

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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)N3CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H31N3O6/c1-2-38-31(37)22-6-5-15-33(18-22)29(35)21-10-12-23(13-11-21)32-28-24-7-3-4-8-25(24)30(36)34(28)17-20-9-14-26-27(16-20)40-19-39-26/h3-4,7-14,16,22,28,32H,2,5-6,15,17-19H2,1H3