1,3-benzodioxol-5-yl 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid 1,3-benzodioxol-5-yl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO5/c1-14-4-2-3-5-17(14)20(23)22-10-8-15(9-11-22)21(24)27-16-6-7-18-19(12-16)26-13-25-18/h2-7,12,15H,8-11,13H2,1H3