3-chloranyl-5-methoxy-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-methoxy-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(4-benzyl-1-piperidyl)-2-oxo-ethoxy]-3-chloro-5-methoxy-benzonitrile CAS Name: 3-chloro-5-methoxy-4-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethoxy]benzonitrile IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile Traditional Name: 4-[2-(4-benzylpiperidino)-2-keto-ethoxy]-3-chloro-5-methoxy-benzonitrile Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C#N)Cl)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C#N)Cl)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H23ClN2O3/c1-27-20-13-18(14-24)12-19(23)22(20)28-15-21(26)25-9-7-17(8-10-25)11-16-5-3-2-4-6-16/h2-6,12-13,17H,7-11,15H2,1H3