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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCOC(=O)C1CCN(CC1)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)22-13-15-33(16-14-22)29(35)21-8-10-23(11-9-21)32-28-24-5-3-4-6-25(24)30(36)34(28)18-20-7-12-26-27(17-20)40-19-39-26/h3-12,17,22,28,32H,2,13-16,18-19H2,1H3