[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-[5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-[5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-keto-2-[3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C33H31N3O4 MolecularWeight: 533.61694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1C(CC(=N1)C2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N1C(CC(=N1)C2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H31N3O4/c1-22(2)31(34-32(38)25-14-7-4-8-15-25)33(39)40-21-30(37)36-29(24-12-5-3-6-13-24)20-28(35-36)27-18-17-23-11-9-10-16-26(23)19-27/h3-19,22,29,31H,20-21H2,1-2H3,(H,34,38)/t29?,31-/m0/s1