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

Systemtic Name: propanoyloxymethyl 3-[(4-methylcyclohexyl)carbonyl-(1-methylpiperidin-4-yl)amino]-5-phenyl-thiophene-2-carboxylate Openeye Name: propanoyloxymethyl 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 1-oxopropoxymethyl ester IUPAC Name: propanoyloxymethyl 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 propionyloxymethyl ester Formula: C29H38N2O5S MolecularWeight: 526.68742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N(C3CCN(CC3)C)C(=O)C4CCC(CC4)C

Isomeric SMILES

CCC(=O)OCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N(C3CCN(CC3)C)C(=O)C4CCC(CC4)C

InChI

InChI=1S/C29H38N2O5S/c1-4-26(32)35-19-36-29(34)27-24(18-25(37-27)21-8-6-5-7-9-21)31(23-14-16-30(3)17-15-23)28(33)22-12-10-20(2)11-13-22/h5-9,18,20,22-23H,4,10-17,19H2,1-3H3