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

Systemtic Name: 3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-morpholin-4-ylcarbonyl-benzoic acid Openeye Name: 3-cyclohexyl-4-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]-5-(morpholine-4-carbonyl)benzoic acid CAS Name: 3-cyclohexyl-4-[2-(2,4-dimethyl-5-thiazolyl)-6-quinolinyl]-5-[4-morpholinyl(oxo)methyl]benzoic acid IUPAC Name: 3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(morpholine-4-carbonyl)benzoic acid Traditional Name: 3-cyclohexyl-4-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]-5-(morpholine-4-carbonyl)benzoic acid Formula: C32H33N3O4S MolecularWeight: 555.68712

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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=C4C5CCCCC5)C(=O)O)C(=O)N6CCOCC6

Isomeric SMILES

CC1=C(SC(=N1)C)C2=NC3=C(C=C2)C=C(C=C3)C4=C(C=C(C=C4C5CCCCC5)C(=O)O)C(=O)N6CCOCC6

InChI

InChI=1S/C32H33N3O4S/c1-19-30(40-20(2)33-19)28-11-8-22-16-23(9-10-27(22)34-28)29-25(21-6-4-3-5-7-21)17-24(32(37)38)18-26(29)31(36)35-12-14-39-15-13-35/h8-11,16-18,21H,3-7,12-15H2,1-2H3,(H,37,38)