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

Systemtic Name: 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-2-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]-1-[2-oxo-2-(1-piperidyl)ethyl]indole-6-carboxylic acid CAS Name: 3-cyclohexyl-2-[2-(2,4-dimethyl-5-thiazolyl)-6-quinolinyl]-1-[2-oxo-2-(1-piperidinyl)ethyl]-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-2-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]-1-(2-keto-2-piperidino-ethyl)indole-6-carboxylic acid Formula: C36H38N4O3S MolecularWeight: 606.77692

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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(C5=C(N4CC(=O)N6CCCCC6)C=C(C=C5)C(=O)O)C7CCCCC7

Isomeric SMILES

CC1=C(SC(=N1)C)C2=NC3=C(C=C2)C=C(C=C3)C4=C(C5=C(N4CC(=O)N6CCCCC6)C=C(C=C5)C(=O)O)C7CCCCC7

InChI

InChI=1S/C36H38N4O3S/c1-22-35(44-23(2)37-22)30-16-12-25-19-26(13-15-29(25)38-30)34-33(24-9-5-3-6-10-24)28-14-11-27(36(42)43)20-31(28)40(34)21-32(41)39-17-7-4-8-18-39/h11-16,19-20,24H,3-10,17-18,21H2,1-2H3,(H,42,43)