[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)O[C@H](C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C20H27N3O5/c1-12(2)16(17(24)22-20(21)27)28-19(26)14-8-10-23(11-9-14)18(25)15-7-5-4-6-13(15)3/h4-7,12,14,16H,8-11H2,1-3H3,(H3,21,22,24,27)/t16-/m1/s1