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

Systemtic Name: phenoxycarbonyloxymethyl 3-[(4-methylcyclohexyl)carbonyl-(1-methylpiperidin-4-yl)amino]-5-phenyl-thiophene-2-carboxylate hydrochloride Openeye Name: phenoxycarbonyloxymethyl 3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]-5-phenyl-thiophene-2-carboxylate hydrochloride CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-(1-methyl-4-piperidinyl)amino]-5-phenyl-2-thiophenecarboxylic acid [oxo(phenoxy)methoxy]methyl ester hydrochloride IUPAC Name: phenoxycarbonyloxymethyl 3-[(4-methylcyclohexanecarbonyl)-(1-methylpiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate hydrochloride Traditional Name: 3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]-5-phenyl-thiophene-2-carboxylic acid carbophenoxyoxymethyl ester hydrochloride Formula: C33H39ClN2O6S MolecularWeight: 627.19056

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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)OCOC(=O)OC5=CC=CC=C5.Cl

Isomeric SMILES

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

InChI

InChI=1S/C33H38N2O6S.ClH/c1-23-13-15-25(16-14-23)31(36)35(26-17-19-34(2)20-18-26)28-21-29(24-9-5-3-6-10-24)42-30(28)32(37)39-22-40-33(38)41-27-11-7-4-8-12-27;/h3-12,21,23,25-26H,13-20,22H2,1-2H3;1H