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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(piperidin-3-ylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-methylcyclohexanecarbonyl)-(3-piperidylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-(3-piperidinylmethyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-(piperidin-3-ylmethyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-methylcyclohexanecarbonyl)-(3-piperidylmethyl)amino]-5-phenyl-2-thenoic acid Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(CC2CCCNC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(CC2CCCNC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H32N2O3S/c1-17-9-11-20(12-10-17)24(28)27(16-18-6-5-13-26-15-18)21-14-22(31-23(21)25(29)30)19-7-3-2-4-8-19/h2-4,7-8,14,17-18,20,26H,5-6,9-13,15-16H2,1H3,(H,29,30)