4-[4-(3H-benzimidazol-5-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-3-phenyl-butanoic acid

Systemtic Name: 4-[4-(3H-benzimidazol-5-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-3-phenyl-butanoic acid Openeye Name: 4-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-4-oxo-3-phenyl-butanoic acid CAS Name: 4-[4-[3H-benzimidazol-5-yl(oxo)methyl]-1-piperazinyl]-4-oxo-3-phenylbutanoic acid IUPAC Name: 4-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-4-oxo-3-phenylbutanoic acid Traditional Name: 4-[4-(3H-benzimidazole-5-carbonyl)piperazino]-4-keto-3-phenyl-butyric acid Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)N=CN3)C(=O)C(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)N=CN3)C(=O)C(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O4/c27-20(28)13-17(15-4-2-1-3-5-15)22(30)26-10-8-25(9-11-26)21(29)16-6-7-18-19(12-16)24-14-23-18/h1-7,12,14,17H,8-11,13H2,(H,23,24)(H,27,28)