ethanedioic acid; methyl 4-[phenyl(propanoyl)amino]-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate

Systemtic Name: ethanedioic acid; methyl 4-[phenyl(propanoyl)amino]-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate Openeye Name: methyl 4-(N-propanoylanilino)-1-[2-(2-thienyl)ethyl]piperidine-4-carboxylate; oxalic acid CAS Name: oxalic acid; 4-[N-(1-oxopropyl)anilino]-1-(2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate; oxalic acid Traditional Name: oxalic acid; 4-(N-propionylanilino)-1-[2-(2-thienyl)ethyl]isonipecotic acid methyl ester Formula: C24H30N2O7S MolecularWeight: 490.5692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N2O3S.C2H2O4/c1-3-20(25)24(18-8-5-4-6-9-18)22(21(26)27-2)12-15-23(16-13-22)14-11-19-10-7-17-28-19;3-1(4)2(5)6/h4-10,17H,3,11-16H2,1-2H3;(H,3,4)(H,5,6)