1-[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)acryloyl]isonipecotamide Formula: C24H27ClN2O4 MolecularWeight: 442.93518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C24H27ClN2O4/c1-30-21-15-18(14-20(25)23(21)31-2)8-9-22(28)27-12-10-19(11-13-27)24(29)26-16-17-6-4-3-5-7-17/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,26,29)/b9-8+