N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)acryloyl]isonipecotamide Formula: C25H27ClN2O6 MolecularWeight: 486.94468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C25H27ClN2O6/c1-3-32-24-19(26)12-16(13-22(24)31-2)4-7-23(29)28-10-8-17(9-11-28)25(30)27-18-5-6-20-21(14-18)34-15-33-20/h4-7,12-14,17H,3,8-11,15H2,1-2H3,(H,27,30)/b7-4+