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

Systemtic Name: 4-oxidanylidene-4-[2-[1-(phenylmethyl)-5-piperazin-1-ylcarbonyl-benzimidazol-2-yl]ethylamino]butanoic acid Openeye Name: 4-[2-[1-benzyl-5-(piperazine-1-carbonyl)benzimidazol-2-yl]ethylamino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[2-[5-[oxo(1-piperazinyl)methyl]-1-(phenylmethyl)-2-benzimidazolyl]ethylamino]butanoic acid IUPAC Name: 4-[2-[1-benzyl-5-(piperazine-1-carbonyl)benzimidazol-2-yl]ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[1-benzyl-5-(piperazine-1-carbonyl)benzimidazol-2-yl]ethylamino]-4-keto-butyric acid Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O4/c31-23(8-9-24(32)33)27-11-10-22-28-20-16-19(25(34)29-14-12-26-13-15-29)6-7-21(20)30(22)17-18-4-2-1-3-5-18/h1-7,16,26H,8-15,17H2,(H,27,31)(H,32,33)