4-[[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[benzyl-[[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-(3-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl-(phenylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[benzyl-[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobutanoic acid Traditional Name: 4-[benzyl-[[3-(3-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]amino]-4-keto-butyric acid Formula: C27H24ClN3O3 MolecularWeight: 473.95076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CC(=CC=C3)Cl)C4=CC=CC=C4)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CC(=CC=C3)Cl)C4=CC=CC=C4)C(=O)CCC(=O)O

InChI

InChI=1S/C27H24ClN3O3/c28-23-11-7-10-21(16-23)27-22(19-31(29-27)24-12-5-2-6-13-24)18-30(25(32)14-15-26(33)34)17-20-8-3-1-4-9-20/h1-13,16,19H,14-15,17-18H2,(H,33,34)