4-[2-(1-ethyl-5-piperazin-1-ylcarbonyl-benzimidazol-2-yl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(1-ethyl-5-piperazin-1-ylcarbonyl-benzimidazol-2-yl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[1-ethyl-5-(piperazine-1-carbonyl)benzimidazol-2-yl]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[1-ethyl-5-[oxo(1-piperazinyl)methyl]-2-benzimidazolyl]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[1-ethyl-5-(piperazine-1-carbonyl)benzimidazol-2-yl]ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[1-ethyl-5-(piperazine-1-carbonyl)benzimidazol-2-yl]ethylamino]-4-keto-butyric acid Formula: C20H27N5O4 MolecularWeight: 401.45948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCNCC3)N=C1CCNC(=O)CCC(=O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCNCC3)N=C1CCNC(=O)CCC(=O)O

InChI

InChI=1S/C20H27N5O4/c1-2-25-16-4-3-14(20(29)24-11-9-21-10-12-24)13-15(16)23-17(25)7-8-22-18(26)5-6-19(27)28/h3-4,13,21H,2,5-12H2,1H3,(H,22,26)(H,27,28)