N-[(4-butoxy-3-methoxy-phenyl)methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(4-butoxy-3-methoxy-benzyl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)OC

InChI

InChI=1S/C27H34N2O4/c1-3-4-18-33-24-12-10-22(19-25(24)32-2)20-28-27(31)23-14-16-29(17-15-23)26(30)13-11-21-8-6-5-7-9-21/h5-13,19,23H,3-4,14-18,20H2,1-2H3,(H,28,31)/b13-11+