(E)-3-[1-(carboxymethyl)-4-cyclohexyl-5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]pyrrol-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-(carboxymethyl)-4-cyclohexyl-5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]pyrrol-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(carboxymethyl)-4-cyclohexyl-5-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]pyrrol-2-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(carboxymethyl)-4-cyclohexyl-5-[2-(2,4-dimethyl-5-thiazolyl)-6-quinolinyl]-2-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(carboxymethyl)-4-cyclohexyl-5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]pyrrol-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(carboxymethyl)-4-cyclohexyl-5-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]pyrrol-2-yl]acrylic acid Formula: C29H29N3O4S MolecularWeight: 515.62326

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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=CC(=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=C/C(=O)O)C5CCCCC5

InChI

InChI=1S/C29H29N3O4S/c1-17-29(37-18(2)30-17)25-12-8-20-14-21(9-11-24(20)31-25)28-23(19-6-4-3-5-7-19)15-22(10-13-26(33)34)32(28)16-27(35)36/h8-15,19H,3-7,16H2,1-2H3,(H,33,34)(H,35,36)/b13-10+