3-azanyl-5-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzoic acid

Systemtic Name: 3-azanyl-5-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzoic acid Openeye Name: 3-amino-5-cyclohexyl-4-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]benzoic acid CAS Name: 3-amino-5-cyclohexyl-4-[2-(2,4-dimethyl-5-thiazolyl)-6-quinolinyl]benzoic acid IUPAC Name: 3-amino-5-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzoic acid Traditional Name: 3-amino-5-cyclohexyl-4-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]benzoic acid Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C2=NC3=C(C=C2)C=C(C=C3)C4=C(C=C(C=C4N)C(=O)O)C5CCCCC5

Isomeric SMILES

CC1=C(SC(=N1)C)C2=NC3=C(C=C2)C=C(C=C3)C4=C(C=C(C=C4N)C(=O)O)C5CCCCC5

InChI

InChI=1S/C27H27N3O2S/c1-15-26(33-16(2)29-15)24-11-8-18-12-19(9-10-23(18)30-24)25-21(17-6-4-3-5-7-17)13-20(27(31)32)14-22(25)28/h8-14,17H,3-7,28H2,1-2H3,(H,31,32)