[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC(=O)CC(C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC(=O)C[C@H](C)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3/c1-16(18-9-5-3-6-10-18)13-22(27)28-15-21(26)23-20-14-17(2)24-25(20)19-11-7-4-8-12-19/h3-12,14,16H,13,15H2,1-2H3,(H,23,26)/t16-/m0/s1