ethanedioic acid; ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-methyl-1-piperidyl)propanoylamino]-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[3-(4-methyl-1-piperidinyl)-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]-4-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[3-(4-methylpiperidino)propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C24H30N2O7S MolecularWeight: 490.5692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCN3CCC(CC3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCN3CCC(CC3)C.C(=O)(C(=O)O)O

InChI

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