2-[4-(1,3-diethyl-2-oxidanylidene-benzimidazol-5-yl)-3-phenyl-pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-(1,3-diethyl-2-oxidanylidene-benzimidazol-5-yl)-3-phenyl-pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-(1,3-diethyl-2-oxo-benzimidazol-5-yl)-3-phenyl-pyrazol-1-yl]acetic acid CAS Name: 2-[4-(1,3-diethyl-2-oxo-5-benzimidazolyl)-3-phenyl-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-phenylpyrazol-1-yl]acetic acid Traditional Name: 2-[4-(1,3-diethyl-2-keto-benzimidazol-5-yl)-3-phenyl-pyrazol-1-yl]acetic acid Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=CN(N=C3C4=CC=CC=C4)CC(=O)O)N(C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=CN(N=C3C4=CC=CC=C4)CC(=O)O)N(C1=O)CC

InChI

InChI=1S/C22H22N4O3/c1-3-25-18-11-10-16(12-19(18)26(4-2)22(25)29)17-13-24(14-20(27)28)23-21(17)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H,27,28)