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

Systemtic Name: phenyl 3-[(4-methylcyclohexyl)carbonyl-(1-methylpiperidin-4-yl)amino]-5-phenyl-thiophene-2-carboxylate Openeye Name: phenyl 3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-(1-methyl-4-piperidinyl)amino]-5-phenyl-2-thiophenecarboxylic acid phenyl ester IUPAC Name: phenyl 3-[(4-methylcyclohexanecarbonyl)-(1-methylpiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]-5-phenyl-thiophene-2-carboxylic acid phenyl ester Formula: C31H36N2O3S MolecularWeight: 516.69414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCN(CC2)C)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)OC5=CC=CC=C5

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCN(CC2)C)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C31H36N2O3S/c1-22-13-15-24(16-14-22)30(34)33(25-17-19-32(2)20-18-25)27-21-28(23-9-5-3-6-10-23)37-29(27)31(35)36-26-11-7-4-8-12-26/h3-12,21-22,24-25H,13-20H2,1-2H3