4-oxidanylidene-4-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]-2-[4-(4-phenylphenyl)pyrazol-1-yl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]-2-[4-(4-phenylphenyl)pyrazol-1-yl]butanoic acid Openeye Name: 4-[(1-benzyl-2-hydroxy-ethyl)amino]-4-oxo-2-[4-(4-phenylphenyl)pyrazol-1-yl]butanoic acid CAS Name: 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxo-2-[4-(4-phenylphenyl)-1-pyrazolyl]butanoic acid IUPAC Name: 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxo-2-[4-(4-phenylphenyl)pyrazol-1-yl]butanoic acid Traditional Name: 4-[(1-benzyl-2-hydroxy-ethyl)amino]-4-keto-2-[4-(4-phenylphenyl)pyrazol-1-yl]butyric acid Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CO)NC(=O)CC(C(=O)O)N2C=C(C=N2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(CO)NC(=O)CC(C(=O)O)N2C=C(C=N2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4/c32-19-25(15-20-7-3-1-4-8-20)30-27(33)16-26(28(34)35)31-18-24(17-29-31)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-14,17-18,25-26,32H,15-16,19H2,(H,30,33)(H,34,35)