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

Systemtic Name: 1-(carboxymethyl)-3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]indole-6-carboxylic acid Openeye Name: 1-(carboxymethyl)-3-cyclohexyl-2-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]indole-6-carboxylic acid CAS Name: 1-(carboxymethyl)-3-cyclohexyl-2-[2-(2,4-dimethyl-5-thiazolyl)-6-quinolinyl]-6-indolecarboxylic acid IUPAC Name: 1-(carboxymethyl)-3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]indole-6-carboxylic acid Traditional Name: 1-(carboxymethyl)-3-cyclohexyl-2-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]indole-6-carboxylic acid Formula: C31H29N3O4S MolecularWeight: 539.64466

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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)O)C=C(C=C5)C(=O)O)C6CCCCC6

Isomeric SMILES

CC1=C(SC(=N1)C)C2=NC3=C(C=C2)C=C(C=C3)C4=C(C5=C(N4CC(=O)O)C=C(C=C5)C(=O)O)C6CCCCC6

InChI

InChI=1S/C31H29N3O4S/c1-17-30(39-18(2)32-17)25-13-9-20-14-21(10-12-24(20)33-25)29-28(19-6-4-3-5-7-19)23-11-8-22(31(37)38)15-26(23)34(29)16-27(35)36/h8-15,19H,3-7,16H2,1-2H3,(H,35,36)(H,37,38)