[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C25H27NO4/c1-17-5-2-3-8-22(17)24(28)26-13-11-19(12-14-26)25(29)30-16-23(27)21-10-9-18-6-4-7-20(18)15-21/h2-3,5,8-10,15,19H,4,6-7,11-14,16H2,1H3