[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CN(N=C1C2=CC=CC=C2OC)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)C1=CN(N=C1C2=CC=CC=C2OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-14(20(22)25)28-21(26)17-13-24(12-15-8-4-3-5-9-15)23-19(17)16-10-6-7-11-18(16)27-2/h3-11,13-14H,12H2,1-2H3,(H2,22,25)/t14-/m1/s1