3-[[1-[[3,5-bis(chloranyl)phenyl]methyl]-2-[2-(2-methylphenyl)ethyl]benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-[[3,5-bis(chloranyl)phenyl]methyl]-2-[2-(2-methylphenyl)ethyl]benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-[(3,5-dichlorophenyl)methyl]-2-[2-(o-tolyl)ethyl]benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[(3,5-dichlorophenyl)methyl]-2-[2-(2-methylphenyl)ethyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[(3,5-dichlorophenyl)methyl]-2-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-(3,5-dichlorobenzyl)-2-[2-(o-tolyl)ethyl]benzimidazole-5-carbonyl]amino]propionic acid Formula: C27H25Cl2N3O3 MolecularWeight: 510.4117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC2=NC3=C(N2CC4=CC(=CC(=C4)Cl)Cl)C=CC(=C3)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1CCC2=NC3=C(N2CC4=CC(=CC(=C4)Cl)Cl)C=CC(=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C27H25Cl2N3O3/c1-17-4-2-3-5-19(17)7-9-25-31-23-14-20(27(35)30-11-10-26(33)34)6-8-24(23)32(25)16-18-12-21(28)15-22(29)13-18/h2-6,8,12-15H,7,9-11,16H2,1H3,(H,30,35)(H,33,34)