[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)O[C@H](C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H21N3O3/c1-15-13-14-23-25(15)19-11-7-17(8-12-19)22(27)28-20(16-5-3-2-4-6-16)21(26)24-18-9-10-18/h2-8,11-14,18,20H,9-10H2,1H3,(H,24,26)/t20-/m1/s1