4-[3-(4-dimethylaminophenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(4-dimethylaminophenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(4-dimethylaminophenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(4-dimethylaminophenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(4-dimethylaminophenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(4-dimethylaminophenyl)-3-(4-phenylphenyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c1-29(2)23-14-12-22(13-15-23)25-18-24(28-30(25)26(31)16-17-27(32)33)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-15,25H,16-18H2,1-2H3,(H,32,33)