(2R)-2-(1,3-benzodioxol-5-ylmethyl)-6-oxidanylidene-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]piperidine-2-carbonitrile

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-ylmethyl)-6-oxidanylidene-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]piperidine-2-carbonitrile Openeye Name: (2R)-2-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-6-oxo-piperidine-2-carbonitrile CAS Name: (2R)-2-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-piperidinecarbonitrile IUPAC Name: (2R)-2-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-oxopiperidine-2-carbonitrile Traditional Name: (2R)-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-6-keto-2-piperonyl-pipecolinonitrile Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C(C1)(CC2=CC3=C(C=C2)OCO3)C#N)C(CO)C4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N([C@](C1)(CC2=CC3=C(C=C2)OCO3)C#N)[C@@H](CO)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O4/c23-14-22(12-16-8-9-19-20(11-16)28-15-27-19)10-4-7-21(26)24(22)18(13-25)17-5-2-1-3-6-17/h1-3,5-6,8-9,11,18,25H,4,7,10,12-13,15H2/t18-,22+/m0/s1