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

Systemtic Name: 1-[(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-1-oxoprop-2-enyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]acryloyl]-N-phenyl-isonipecotamide Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=CC(=O)N4CCC(CC4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=C/C(=O)N4CCC(CC4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O4/c1-19-16-22(20(2)31(19)24-9-10-25-26(17-24)35-18-34-25)8-11-27(32)30-14-12-21(13-15-30)28(33)29-23-6-4-3-5-7-23/h3-11,16-17,21H,12-15,18H2,1-2H3,(H,29,33)/b11-8+