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

Systemtic Name: (phenylmethyl) 1-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]piperidin-1-yl]cyclopropane-1-carboxylate Openeye Name: benzyl 1-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-piperidyl]cyclopropanecarboxylate CAS Name: 1-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-piperidinyl]-1-cyclopropanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]cyclopropane-1-carboxylate Traditional Name: 1-[4-cyano-4-[3-(cyclopropylmethoxy)-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)OCC5CC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCN(CC2)C3(CC3)C(=O)OCC4=CC=CC=C4)C#N)OCC5CC5

InChI

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