methyl 1-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-1-oxoprop-2-enyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acryloyl]-4-phenyl-isonipecotic acid methyl ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OC)OCC#N

InChI

InChI=1S/C25H26N2O5/c1-30-22-18-19(8-10-21(22)32-17-14-26)9-11-23(28)27-15-12-25(13-16-27,24(29)31-2)20-6-4-3-5-7-20/h3-11,18H,12-13,15-17H2,1-2H3/b11-9+