(phenylmethyl) 1-[4-cyano-4-(3-ethoxy-4-methoxy-phenyl)piperidin-1-yl]cyclopropane-1-carboxylate

Systemtic Name: (phenylmethyl) 1-[4-cyano-4-(3-ethoxy-4-methoxy-phenyl)piperidin-1-yl]cyclopropane-1-carboxylate Openeye Name: benzyl 1-[4-cyano-4-(3-ethoxy-4-methoxy-phenyl)-1-piperidyl]cyclopropanecarboxylate CAS Name: 1-[4-cyano-4-(3-ethoxy-4-methoxyphenyl)-1-piperidinyl]-1-cyclopropanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[4-cyano-4-(3-ethoxy-4-methoxyphenyl)piperidin-1-yl]cyclopropane-1-carboxylate Traditional Name: 1-[4-cyano-4-(3-ethoxy-4-methoxy-phenyl)piperidino]cyclopropanecarboxylic acid benzyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2(CCN(CC2)C3(CC3)C(=O)OCC4=CC=CC=C4)C#N)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2(CCN(CC2)C3(CC3)C(=O)OCC4=CC=CC=C4)C#N)OC

InChI

InChI=1S/C26H30N2O4/c1-3-31-23-17-21(9-10-22(23)30-2)25(19-27)13-15-28(16-14-25)26(11-12-26)24(29)32-18-20-7-5-4-6-8-20/h4-10,17H,3,11-16,18H2,1-2H3