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

Systemtic Name: methyl 4-phenyl-1-[(E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 4-phenyl-1-[(E)-3-[4-(2-pyridylmethoxy)phenyl]prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-[4-(2-pyridinylmethoxy)phenyl]prop-2-enyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-1-[(E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 4-phenyl-1-[(E)-3-[4-(2-pyridylmethoxy)phenyl]acryloyl]isonipecotic acid methyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)OCC3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O4/c1-33-27(32)28(23-7-3-2-4-8-23)16-19-30(20-17-28)26(31)15-12-22-10-13-25(14-11-22)34-21-24-9-5-6-18-29-24/h2-15,18H,16-17,19-21H2,1H3/b15-12+