[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-4-pyrazolecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)pyrazole-4-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C17H20ClN3O3 MolecularWeight: 349.812

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CN(N=C1)CC2=CC=CC=C2Cl

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CN(N=C1)CC2=CC=CC=C2Cl

InChI

InChI=1S/C17H20ClN3O3/c1-3-8-19-16(22)12(2)24-17(23)14-9-20-21(11-14)10-13-6-4-5-7-15(13)18/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,19,22)/t12-/m0/s1