[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)O[C@@H](C)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H28N2O6/c1-16-5-3-4-6-20(16)24(29)27-11-9-18(10-12-27)25(30)33-17(2)23(28)26-19-7-8-21-22(15-19)32-14-13-31-21/h3-8,15,17-18H,9-14H2,1-2H3,(H,26,28)/t17-/m0/s1