3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-methyl-quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-methyl-quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-2-[2-(2,4-dimethylthiazol-5-yl)-7-methyl-6-quinolyl]-1-(2-morpholino-2-oxo-ethyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-2-[2-(2,4-dimethyl-5-thiazolyl)-7-methyl-6-quinolinyl]-1-[2-(4-morpholinyl)-2-oxoethyl]-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-7-methylquinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-2-[2-(2,4-dimethylthiazol-5-yl)-7-methyl-6-quinolyl]-1-(2-keto-2-morpholino-ethyl)indole-6-carboxylic acid Formula: C36H38N4O4S MolecularWeight: 622.77632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=NC2=C1)C3=C(N=C(S3)C)C)C4=C(C5=C(N4CC(=O)N6CCOCC6)C=C(C=C5)C(=O)O)C7CCCCC7

Isomeric SMILES

CC1=C(C=C2C=CC(=NC2=C1)C3=C(N=C(S3)C)C)C4=C(C5=C(N4CC(=O)N6CCOCC6)C=C(C=C5)C(=O)O)C7CCCCC7

InChI

InChI=1S/C36H38N4O4S/c1-21-17-30-25(10-12-29(38-30)35-22(2)37-23(3)45-35)18-28(21)34-33(24-7-5-4-6-8-24)27-11-9-26(36(42)43)19-31(27)40(34)20-32(41)39-13-15-44-16-14-39/h9-12,17-19,24H,4-8,13-16,20H2,1-3H3,(H,42,43)