[(2R)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [(1R)-2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid [(2R)-1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid [(1R)-2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OC(C)C(=O)NC(=O)NC3CCCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)O[C@H](C)C(=O)NC(=O)NC3CCCC3)C

InChI

InChI=1S/C23H30N4O4/c1-14-9-11-18(12-10-14)13-27-16(3)20(15(2)26-27)22(29)31-17(4)21(28)25-23(30)24-19-7-5-6-8-19/h9-12,17,19H,5-8,13H2,1-4H3,(H2,24,25,28,30)/t17-/m1/s1