3-[(4-carboxycyclohexyl)-(4-methylcyclohexyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-carboxycyclohexyl)-(4-methylcyclohexyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-carboxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-carboxycyclohexyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-carboxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-carboxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C26H31NO5S MolecularWeight: 469.59304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCC(CC2)C(=O)O)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCC(CC2)C(=O)O)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H31NO5S/c1-16-7-9-18(10-8-16)24(28)27(20-13-11-19(12-14-20)25(29)30)21-15-22(33-23(21)26(31)32)17-5-3-2-4-6-17/h2-6,15-16,18-20H,7-14H2,1H3,(H,29,30)(H,31,32)