[2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3)NC(=O)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C22H21N3O4/c1-14(23-15(2)26)16-8-10-18(11-9-16)21(27)13-29-22(28)20-12-19(24-25-20)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,23,26)(H,24,25)/t14-/m0/s1