4-[2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]acetyl]amino]benzoic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H22N4O4/c26-19(22-15-7-5-14(6-8-15)20(27)28)13-24-11-9-16(10-12-24)25-18-4-2-1-3-17(18)23-21(25)29/h1-8,16H,9-13H2,(H,22,26)(H,23,29)(H,27,28)