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

Systemtic Name: 4-oxidanylidene-4-[2-(5-piperazin-1-ylcarbonyl-1-propyl-benzimidazol-2-yl)ethylamino]butanoic acid Openeye Name: 4-oxo-4-[2-[5-(piperazine-1-carbonyl)-1-propyl-benzimidazol-2-yl]ethylamino]butanoic acid CAS Name: 4-oxo-4-[2-[5-[oxo(1-piperazinyl)methyl]-1-propyl-2-benzimidazolyl]ethylamino]butanoic acid IUPAC Name: 4-oxo-4-[2-[5-(piperazine-1-carbonyl)-1-propylbenzimidazol-2-yl]ethylamino]butanoic acid Traditional Name: 4-keto-4-[2-[5-(piperazine-1-carbonyl)-1-propyl-benzimidazol-2-yl]ethylamino]butyric acid Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)C(=O)N3CCNCC3)N=C1CCNC(=O)CCC(=O)O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)C(=O)N3CCNCC3)N=C1CCNC(=O)CCC(=O)O

InChI

InChI=1S/C21H29N5O4/c1-2-11-26-17-4-3-15(21(30)25-12-9-22-10-13-25)14-16(17)24-18(26)7-8-23-19(27)5-6-20(28)29/h3-4,14,22H,2,5-13H2,1H3,(H,23,27)(H,28,29)