[5-[(2R,4R)-2-cyano-1-(phenylmethyl)piperidin-4-yl]-4-oxidanylidene-3-phenyl-pentyl] ethanoate

Systemtic Name: [5-[(2R,4R)-2-cyano-1-(phenylmethyl)piperidin-4-yl]-4-oxidanylidene-3-phenyl-pentyl] ethanoate Openeye Name: [5-[(2R,4R)-1-benzyl-2-cyano-4-piperidyl]-4-oxo-3-phenyl-pentyl] acetate CAS Name: acetic acid [5-[(2R,4R)-2-cyano-1-(phenylmethyl)-4-piperidinyl]-4-oxo-3-phenylpentyl] ester IUPAC Name: [5-[(2R,4R)-1-benzyl-2-cyanopiperidin-4-yl]-4-oxo-3-phenylpentyl] acetate Traditional Name: acetic acid [5-[(2R,4R)-1-benzyl-2-cyano-4-piperidyl]-4-keto-3-phenyl-pentyl] ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(C1=CC=CC=C1)C(=O)CC2CCN(C(C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)OCCC(C1=CC=CC=C1)C(=O)C[C@@H]2CCN([C@H](C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C26H30N2O3/c1-20(29)31-15-13-25(23-10-6-3-7-11-23)26(30)17-22-12-14-28(24(16-22)18-27)19-21-8-4-2-5-9-21/h2-11,22,24-25H,12-17,19H2,1H3/t22-,24-,25?/m1/s1