ethyl 1-(1,3-benzodioxol-5-ylcarbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-ylcarbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxole-5-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: 1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxole-5-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: 3-(3-phenylpropyl)-1-piperonyloyl-nipecotic acid ethyl ester Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H29NO5/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/h3-5,8-9,11-12,16H,2,6-7,10,13-15,17-18H2,1H3