3-[(1-cyanopiperidin-4-yl)-(4-methylcyclohexyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(1-cyanopiperidin-4-yl)-(4-methylcyclohexyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(1-cyano-4-piperidyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(1-cyano-4-piperidinyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(1-cyanopiperidin-4-yl)-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1-cyano-4-piperidyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCN(CC2)C#N)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCN(CC2)C#N)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H29N3O3S/c1-17-7-9-19(10-8-17)24(29)28(20-11-13-27(16-26)14-12-20)21-15-22(32-23(21)25(30)31)18-5-3-2-4-6-18/h2-6,15,17,19-20H,7-14H2,1H3,(H,30,31)