1-[(E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[(E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-3-(3-ethoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[(E)-3-(3-ethoxy-4-propoxy-phenyl)acryloyl]isonipecotamide Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)OCC

InChI

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