ethyl 1-[(2S)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-(1-oxoisoindolin-2-yl)-3-phenyl-propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-1-oxo-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-(1-ketoisoindolin-2-yl)-3-phenyl-propanoyl]isonipecotic acid ethyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H28N2O4/c1-2-31-25(30)19-12-14-26(15-13-19)24(29)22(16-18-8-4-3-5-9-18)27-17-20-10-6-7-11-21(20)23(27)28/h3-11,19,22H,2,12-17H2,1H3/t22-/m0/s1