1-[3-[4-(2-methoxy-2-oxidanylidene-ethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-[3-[4-(2-methoxy-2-oxidanylidene-ethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-[3-[4-(2-methoxy-2-oxo-ethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-[3-[4-(2-methoxy-2-oxoethyl)-1-piperazinyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[3-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-[3-[4-(2-keto-2-methoxy-ethyl)piperazino]phenyl]benzimidazole-5-carboxylic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCN(CC1)C2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C(=O)O

Isomeric SMILES

COC(=O)CN1CCN(CC1)C2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C(=O)O

InChI

InChI=1S/C21H22N4O4/c1-29-20(26)13-23-7-9-24(10-8-23)16-3-2-4-17(12-16)25-14-22-18-11-15(21(27)28)5-6-19(18)25/h2-6,11-12,14H,7-10,13H2,1H3,(H,27,28)