4-oxidanylidene-4-[2-[5-piperazin-1-ylcarbonyl-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]ethylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[2-[5-piperazin-1-ylcarbonyl-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]ethylamino]butanoic acid Openeye Name: 4-oxo-4-[2-[5-(piperazine-1-carbonyl)-1-(3-pyridylmethyl)benzimidazol-2-yl]ethylamino]butanoic acid CAS Name: 4-oxo-4-[2-[5-[oxo(1-piperazinyl)methyl]-1-(3-pyridinylmethyl)-2-benzimidazolyl]ethylamino]butanoic acid IUPAC Name: 4-oxo-4-[2-[5-(piperazine-1-carbonyl)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]ethylamino]butanoic acid Traditional Name: 4-keto-4-[2-[5-(piperazine-1-carbonyl)-1-(3-pyridylmethyl)benzimidazol-2-yl]ethylamino]butyric acid Formula: C24H28N6O4 MolecularWeight: 464.51692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCNC(=O)CCC(=O)O)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCNC(=O)CCC(=O)O)CC4=CN=CC=C4

InChI

InChI=1S/C24H28N6O4/c31-22(5-6-23(32)33)27-9-7-21-28-19-14-18(24(34)29-12-10-25-11-13-29)3-4-20(19)30(21)16-17-2-1-8-26-15-17/h1-4,8,14-15,25H,5-7,9-13,16H2,(H,27,31)(H,32,33)