2-[[(3S)-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]carbonyl]benzoic acid

Systemtic Name: 2-[[(3S)-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]carbonyl]benzoic acid Openeye Name: 2-[(3S)-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydropyrazole-2-carbonyl]benzoic acid CAS Name: 2-[[(3S)-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-oxomethyl]benzoic acid IUPAC Name: 2-[(3S)-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydropyrazole-2-carbonyl]benzoic acid Traditional Name: 2-[(5S)-5-(2-hydroxyphenyl)-3-phenyl-3-pyrazoline-1-carbonyl]benzoic acid Formula: C23H18N2O4 MolecularWeight: 386.40002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(N(N2)C(=O)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4O

Isomeric SMILES

C1=CC=C(C=C1)C2=C[C@H](N(N2)C(=O)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4O

InChI

InChI=1S/C23H18N2O4/c26-21-13-7-6-12-18(21)20-14-19(15-8-2-1-3-9-15)24-25(20)22(27)16-10-4-5-11-17(16)23(28)29/h1-14,20,24,26H,(H,28,29)/t20-/m0/s1