(phenylmethyl) 1-[[3-(4-cyanophenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperidine-3-carboxylate

Systemtic Name: (phenylmethyl) 1-[[3-(4-cyanophenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperidine-3-carboxylate Openeye Name: benzyl 1-[[3-(4-cyanophenyl)-2-oxo-oxazolidin-5-yl]methyl]piperidine-3-carboxylate CAS Name: 1-[[3-(4-cyanophenyl)-2-oxo-5-oxazolidinyl]methyl]-3-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-3-carboxylate Traditional Name: 1-[[3-(4-cyanophenyl)-2-keto-oxazolidin-5-yl]methyl]nipecotic acid benzyl ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2CN(C(=O)O2)C3=CC=C(C=C3)C#N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)CC2CN(C(=O)O2)C3=CC=C(C=C3)C#N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4/c25-13-18-8-10-21(11-9-18)27-16-22(31-24(27)29)15-26-12-4-7-20(14-26)23(28)30-17-19-5-2-1-3-6-19/h1-3,5-6,8-11,20,22H,4,7,12,14-17H2