ethyl 2-cyano-2-[4-(3,5-dimethylphenyl)-1-(phenylmethyl)piperidin-4-yl]ethanoate

Systemtic Name: ethyl 2-cyano-2-[4-(3,5-dimethylphenyl)-1-(phenylmethyl)piperidin-4-yl]ethanoate Openeye Name: ethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)-4-piperidyl]-2-cyano-acetate CAS Name: 2-cyano-2-[4-(3,5-dimethylphenyl)-1-(phenylmethyl)-4-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-benzyl-4-(3,5-dimethylphenyl)piperidin-4-yl]-2-cyanoacetate Traditional Name: 2-[1-benzyl-4-(3,5-dimethylphenyl)-4-piperidyl]-2-cyano-acetic acid ethyl ester Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(CCN(CC1)CC2=CC=CC=C2)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C(C#N)C1(CCN(CC1)CC2=CC=CC=C2)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C25H30N2O2/c1-4-29-24(28)23(17-26)25(22-15-19(2)14-20(3)16-22)10-12-27(13-11-25)18-21-8-6-5-7-9-21/h5-9,14-16,23H,4,10-13,18H2,1-3H3