ethanedioate; methyl 4-[(2-propanoylphenyl)amino]-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate

Systemtic Name: ethanedioate; methyl 4-[(2-propanoylphenyl)amino]-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate Openeye Name: methyl 4-(2-propanoylanilino)-1-[2-(2-thienyl)ethyl]piperidine-4-carboxylate; oxalate CAS Name: oxalate; 4-[2-(1-oxopropyl)anilino]-1-(2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate; oxalate Traditional Name: oxalate; 4-(2-propionylanilino)-1-[2-(2-thienyl)ethyl]isonipecotic acid methyl ester Formula: C24H28N2O7S-2 MolecularWeight: 488.55332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1NC2(CCN(CC2)CCC3=CC=CS3)C(=O)OC.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCC(=O)C1=CC=CC=C1NC2(CCN(CC2)CCC3=CC=CS3)C(=O)OC.C(=O)(C(=O)[O-])[O-]

InChI

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