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

Systemtic Name: ethanedioic acid; methyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester; oxalic acid IUPAC Name: methyl 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 methyl ester; oxalic acid Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCN(CC1)CCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O3S.C2H2O4/c1-15-8-11-23(12-9-15)13-10-18(24)22-20-19(21(25)26-2)17(14-27-20)16-6-4-3-5-7-16;3-1(4)2(5)6/h3-7,14-15H,8-13H2,1-2H3,(H,22,24);(H,3,4)(H,5,6)