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

Systemtic Name: 1-[3-[4-(2-ethoxy-2-oxidanylidene-ethyl)-3,5-dimethyl-piperazin-1-yl]phenyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 1-[3-[4-(2-ethoxy-2-oxo-ethyl)-3,5-dimethyl-piperazin-1-yl]phenyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 1-[3-[4-(2-ethoxy-2-oxoethyl)-3,5-dimethyl-1-piperazinyl]phenyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-[3-[4-(2-ethoxy-2-oxoethyl)-3,5-dimethylpiperazin-1-yl]phenyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 1-[3-[4-(2-ethoxy-2-keto-ethyl)-3,5-dimethyl-piperazino]phenyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C25H30N4O4 MolecularWeight: 450.5301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(CN(CC1C)C2=CC=CC(=C2)N3C(=NC4=C3C=CC(=C4)C(=O)O)C)C

Isomeric SMILES

CCOC(=O)CN1C(CN(CC1C)C2=CC=CC(=C2)N3C(=NC4=C3C=CC(=C4)C(=O)O)C)C

InChI

InChI=1S/C25H30N4O4/c1-5-33-24(30)15-28-16(2)13-27(14-17(28)3)20-7-6-8-21(12-20)29-18(4)26-22-11-19(25(31)32)9-10-23(22)29/h6-12,16-17H,5,13-15H2,1-4H3,(H,31,32)