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

Systemtic Name: 1-[3-[4-(2-ethoxy-2-oxidanylidene-ethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-[3-[4-(2-ethoxy-2-oxo-ethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-[3-[4-(2-ethoxy-2-oxoethyl)-1-piperazinyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[3-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-[3-[4-(2-ethoxy-2-keto-ethyl)piperazino]phenyl]benzimidazole-5-carboxylic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4/c1-2-30-21(27)14-24-8-10-25(11-9-24)17-4-3-5-18(13-17)26-15-23-19-12-16(22(28)29)6-7-20(19)26/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,28,29)