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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C28H35N3O3/c1-34-25-11-7-10-24(20-25)26(30-16-5-6-17-30)21-29-28(33)23-14-18-31(19-15-23)27(32)13-12-22-8-3-2-4-9-22/h2-4,7-13,20,23,26H,5-6,14-19,21H2,1H3,(H,29,33)/b13-12+