ethanedioic acid; methyl 4-phenyl-2-(3-piperidin-1-ylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; methyl 4-phenyl-2-(3-piperidin-1-ylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-phenyl-2-[3-(1-piperidyl)propanoylamino]thiophene-3-carboxylate; oxalic acid CAS Name: oxalic acid; 2-[[1-oxo-3-(1-piperidinyl)propyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-(3-piperidin-1-ylpropanoylamino)thiophene-3-carboxylate; oxalic acid Traditional Name: oxalic acid; 4-phenyl-2-(3-piperidinopropanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCN3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCN3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O3S.C2H2O4/c1-25-20(24)18-16(15-8-4-2-5-9-15)14-26-19(18)21-17(23)10-13-22-11-6-3-7-12-22;3-1(4)2(5)6/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,21,23);(H,3,4)(H,5,6)