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

Systemtic Name: (phenylmethyl) 1-[4-cyano-4-(3-cyclobutyloxy-4-methoxy-phenyl)piperidin-1-yl]cyclopropane-1-carboxylate Openeye Name: benzyl 1-[4-cyano-4-[3-(cyclobutoxy)-4-methoxy-phenyl]-1-piperidyl]cyclopropanecarboxylate CAS Name: 1-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)-1-piperidinyl]-1-cyclopropanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]cyclopropane-1-carboxylate Traditional Name: 1-[4-cyano-4-[3-(cyclobutoxy)-4-methoxy-phenyl]piperidino]cyclopropanecarboxylic acid benzyl ester Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCN(CC2)C3(CC3)C(=O)OCC4=CC=CC=C4)C#N)OC5CCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCN(CC2)C3(CC3)C(=O)OCC4=CC=CC=C4)C#N)OC5CCC5

InChI

InChI=1S/C28H32N2O4/c1-32-24-11-10-22(18-25(24)34-23-8-5-9-23)27(20-29)14-16-30(17-15-27)28(12-13-28)26(31)33-19-21-6-3-2-4-7-21/h2-4,6-7,10-11,18,23H,5,8-9,12-17,19H2,1H3