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

Systemtic Name: (phenylmethyl) 1-[4-cyano-4-[4-methoxy-3-(methoxymethoxy)phenyl]piperidin-1-yl]cyclopropane-1-carboxylate Openeye Name: benzyl 1-[4-cyano-4-[4-methoxy-3-(methoxymethoxy)phenyl]-1-piperidyl]cyclopropanecarboxylate CAS Name: 1-[4-cyano-4-[4-methoxy-3-(methoxymethoxy)phenyl]-1-piperidinyl]-1-cyclopropanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[4-cyano-4-[4-methoxy-3-(methoxymethoxy)phenyl]piperidin-1-yl]cyclopropane-1-carboxylate Traditional Name: 1-[4-cyano-4-[4-methoxy-3-(methoxymethoxy)phenyl]piperidino]cyclopropanecarboxylic acid benzyl ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=C(C=CC(=C1)C2(CCN(CC2)C3(CC3)C(=O)OCC4=CC=CC=C4)C#N)OC

Isomeric SMILES

COCOC1=C(C=CC(=C1)C2(CCN(CC2)C3(CC3)C(=O)OCC4=CC=CC=C4)C#N)OC

InChI

InChI=1S/C26H30N2O5/c1-30-19-33-23-16-21(8-9-22(23)31-2)25(18-27)12-14-28(15-13-25)26(10-11-26)24(29)32-17-20-6-4-3-5-7-20/h3-9,16H,10-15,17,19H2,1-2H3