ethyl (2Z)-2-[3-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)piperidin-4-ylidene]-2-cyano-ethanoate

Systemtic Name: ethyl (2Z)-2-[3-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)piperidin-4-ylidene]-2-cyano-ethanoate Openeye Name: ethyl (2Z)-2-[1-benzyl-3-(3-chlorophenyl)-3-methyl-4-piperidylidene]-2-cyano-acetate CAS Name: (2Z)-2-[3-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)-4-piperidinylidene]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[1-benzyl-3-(3-chlorophenyl)-3-methylpiperidin-4-ylidene]-2-cyanoacetate Traditional Name: (2Z)-2-[1-benzyl-3-(3-chlorophenyl)-3-methyl-4-piperidylidene]-2-cyano-acetic acid ethyl ester Formula: C24H25ClN2O2 MolecularWeight: 408.9205

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CCN(CC1(C)C2=CC(=CC=C2)Cl)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C\1/CCN(CC1(C)C2=CC(=CC=C2)Cl)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C24H25ClN2O2/c1-3-29-23(28)21(15-26)22-12-13-27(16-18-8-5-4-6-9-18)17-24(22,2)19-10-7-11-20(25)14-19/h4-11,14H,3,12-13,16-17H2,1-2H3/b22-21-