ethyl 1-(1,3-benzodioxol-5-ylcarbonyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-ylcarbonyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxole-5-carbonyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: 1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxole-5-carbonyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: 3-(2-methylbenzyl)-1-piperonyloyl-nipecotic acid ethyl ester Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4C

InChI

InChI=1S/C24H27NO5/c1-3-28-23(27)24(14-19-8-5-4-7-17(19)2)11-6-12-25(15-24)22(26)18-9-10-20-21(13-18)30-16-29-20/h4-5,7-10,13H,3,6,11-12,14-16H2,1-2H3