1-(carboxymethyl)-4-cyclohexyl-5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]pyrrole-2-carboxylic acid

Systemtic Name: 1-(carboxymethyl)-4-cyclohexyl-5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]pyrrole-2-carboxylic acid Openeye Name: 1-(carboxymethyl)-4-cyclohexyl-5-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]pyrrole-2-carboxylic acid CAS Name: 1-(carboxymethyl)-4-cyclohexyl-5-[2-(2,4-dimethyl-5-thiazolyl)-6-quinolinyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-(carboxymethyl)-4-cyclohexyl-5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]pyrrole-2-carboxylic acid Traditional Name: 1-(carboxymethyl)-4-cyclohexyl-5-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]pyrrole-2-carboxylic acid Formula: C27H27N3O4S MolecularWeight: 489.58598

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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(N4CC(=O)O)C(=O)O)C5CCCCC5

Isomeric SMILES

CC1=C(SC(=N1)C)C2=NC3=C(C=C2)C=C(C=C3)C4=C(C=C(N4CC(=O)O)C(=O)O)C5CCCCC5

InChI

InChI=1S/C27H27N3O4S/c1-15-26(35-16(2)28-15)22-11-8-18-12-19(9-10-21(18)29-22)25-20(17-6-4-3-5-7-17)13-23(27(33)34)30(25)14-24(31)32/h8-13,17H,3-7,14H2,1-2H3,(H,31,32)(H,33,34)