3,6-bis(chloranyl)-2-[[5-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]carbonyl]benzoic acid

Systemtic Name: 3,6-bis(chloranyl)-2-[[5-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]carbonyl]benzoic acid Openeye Name: 3,6-dichloro-2-[5-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]indoline-1-carbonyl]benzoic acid CAS Name: 3,6-dichloro-2-[[5-[(2-ethyl-5,7-dimethyl-3-imidazo[4,5-b]pyridinyl)methyl]-2,3-dihydroindol-1-yl]-oxomethyl]benzoic acid IUPAC Name: 3,6-dichloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindole-1-carbonyl]benzoic acid Traditional Name: 3,6-dichloro-2-[5-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]indoline-1-carbonyl]benzoic acid Formula: C27H24Cl2N4O3 MolecularWeight: 523.41046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24Cl2N4O3/c1-4-21-31-24-14(2)11-15(3)30-25(24)33(21)13-16-5-8-20-17(12-16)9-10-32(20)26(34)22-18(28)6-7-19(29)23(22)27(35)36/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,35,36)