4-[[2-[(4-bromanyl-2-methoxy-6-methyl-phenyl)amino]-3-methyl-benzimidazol-4-yl]-propan-2-yl-amino]butanoic acid

Systemtic Name: 4-[[2-[(4-bromanyl-2-methoxy-6-methyl-phenyl)amino]-3-methyl-benzimidazol-4-yl]-propan-2-yl-amino]butanoic acid Openeye Name: 4-[[2-(4-bromo-2-methoxy-6-methyl-anilino)-3-methyl-benzimidazol-4-yl]-isopropyl-amino]butanoic acid CAS Name: 4-[[2-(4-bromo-2-methoxy-6-methylanilino)-3-methyl-4-benzimidazolyl]-propan-2-ylamino]butanoic acid IUPAC Name: 4-[[2-(4-bromo-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-propan-2-ylamino]butanoic acid Traditional Name: 4-[[2-(4-bromo-2-methoxy-6-methyl-anilino)-3-methyl-benzimidazol-4-yl]-isopropyl-amino]butyric acid Formula: C23H29BrN4O3 MolecularWeight: 489.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC3=C(N2C)C(=CC=C3)N(CCCC(=O)O)C(C)C)OC)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC3=C(N2C)C(=CC=C3)N(CCCC(=O)O)C(C)C)OC)Br

InChI

InChI=1S/C23H29BrN4O3/c1-14(2)28(11-7-10-20(29)30)18-9-6-8-17-22(18)27(4)23(25-17)26-21-15(3)12-16(24)13-19(21)31-5/h6,8-9,12-14H,7,10-11H2,1-5H3,(H,25,26)(H,29,30)