4,5-bis(chloranyl)-2-[5-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]carbonyl-benzoic acid

Systemtic Name: 4,5-bis(chloranyl)-2-[5-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]carbonyl-benzoic acid Openeye Name: 4,5-dichloro-2-[5-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]indole-1-carbonyl]benzoic acid CAS Name: 4,5-dichloro-2-[[5-[(2-ethyl-5,7-dimethyl-3-imidazo[4,5-b]pyridinyl)methyl]-1-indolyl]-oxomethyl]benzoic acid IUPAC Name: 4,5-dichloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indole-1-carbonyl]benzoic acid Traditional Name: 4,5-dichloro-2-[5-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]indole-1-carbonyl]benzoic acid Formula: C27H22Cl2N4O3 MolecularWeight: 521.39458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC4=C(C=C3)N(C=C4)C(=O)C5=CC(=C(C=C5C(=O)O)Cl)Cl)N=C(C=C2C)C

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC4=C(C=C3)N(C=C4)C(=O)C5=CC(=C(C=C5C(=O)O)Cl)Cl)N=C(C=C2C)C

InChI

InChI=1S/C27H22Cl2N4O3/c1-4-23-31-24-14(2)9-15(3)30-25(24)33(23)13-16-5-6-22-17(10-16)7-8-32(22)26(34)18-11-20(28)21(29)12-19(18)27(35)36/h5-12H,4,13H2,1-3H3,(H,35,36)