2-[[1-(4-chlorophenyl)-5-propyl-pyrazol-4-yl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid

Systemtic Name: 2-[[1-(4-chlorophenyl)-5-propyl-pyrazol-4-yl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[[1-(4-chlorophenyl)-5-propyl-pyrazole-4-carbonyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[[1-(4-chlorophenyl)-5-propyl-4-pyrazolyl]-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[[1-(4-chlorophenyl)-5-propylpyrazole-4-carbonyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[[1-(4-chlorophenyl)-5-propyl-pyrazole-4-carbonyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid Formula: C34H30ClN3O4 MolecularWeight: 580.0727

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4OC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4OC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C34H30ClN3O4/c1-2-8-31-29(22-36-38(31)26-19-17-25(35)18-20-26)33(39)37-30(34(40)41)21-23-13-15-24(16-14-23)28-11-6-7-12-32(28)42-27-9-4-3-5-10-27/h3-7,9-20,22,30H,2,8,21H2,1H3,(H,37,39)(H,40,41)