2-[(1-cyclohexyl-2-quinolin-6-yl-benzimidazol-5-yl)carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(1-cyclohexyl-2-quinolin-6-yl-benzimidazol-5-yl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(6-quinolyl)benzimidazole-5-carbonyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[[1-cyclohexyl-2-(6-quinolinyl)-5-benzimidazolyl]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[(1-cyclohexyl-2-quinolin-6-ylbenzimidazole-5-carbonyl)amino]-3-hydroxypropanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(6-quinolyl)benzimidazole-5-carbonyl]amino]-3-hydroxy-propionic acid Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CO)C(=O)O)N=C2C4=CC5=C(C=C4)N=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CO)C(=O)O)N=C2C4=CC5=C(C=C4)N=CC=C5

InChI

InChI=1S/C26H26N4O4/c31-15-22(26(33)34)29-25(32)18-9-11-23-21(14-18)28-24(30(23)19-6-2-1-3-7-19)17-8-10-20-16(13-17)5-4-12-27-20/h4-5,8-14,19,22,31H,1-3,6-7,15H2,(H,29,32)(H,33,34)