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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-[(1-methylpiperidin-4-yl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-methylcyclohexanecarbonyl)-[(1-methyl-4-piperidyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-[(1-methyl-4-piperidinyl)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-[(1-methylpiperidin-4-yl)methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-methylcyclohexanecarbonyl)-[(1-methyl-4-piperidyl)methyl]amino]-5-phenyl-2-thenoic acid Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(CC2CCN(CC2)C)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(CC2CCN(CC2)C)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H34N2O3S/c1-18-8-10-21(11-9-18)25(29)28(17-19-12-14-27(2)15-13-19)22-16-23(32-24(22)26(30)31)20-6-4-3-5-7-20/h3-7,16,18-19,21H,8-15,17H2,1-2H3,(H,30,31)