N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[2-(2-methoxyphenyl)-2-pyrrolidino-ethyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C(CNC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C28H35N3O3/c1-34-26-12-6-5-11-24(26)25(30-17-7-8-18-30)21-29-28(33)23-15-19-31(20-16-23)27(32)14-13-22-9-3-2-4-10-22/h2-6,9-14,23,25H,7-8,15-21H2,1H3,(H,29,33)/b14-13+