ethyl 1-(1,3-benzodioxol-5-ylcarbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-ylcarbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxole-5-carbonyl)-3-[(E)-cinnamyl]piperidine-3-carboxylate CAS Name: 1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxole-5-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Traditional Name: 3-[(E)-cinnamyl]-1-piperonyloyl-nipecotic acid ethyl ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H27NO5/c1-2-29-24(28)25(13-6-10-19-8-4-3-5-9-19)14-7-15-26(17-25)23(27)20-11-12-21-22(16-20)31-18-30-21/h3-6,8-12,16H,2,7,13-15,17-18H2,1H3/b10-6+