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

Systemtic Name: ethanedioic acid; methyl 1-phenethyl-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl 1-phenethyl-4-(N-propanoylanilino)piperidine-4-carboxylate; oxalic acid CAS Name: oxalic acid; 4-[N-(1-oxopropyl)anilino]-1-phenethyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-phenethyl-4-(N-propanoylanilino)piperidine-4-carboxylate; oxalic acid Traditional Name: oxalic acid; 1-phenethyl-4-(N-propionylanilino)isonipecotic acid methyl ester Formula: C26H32N2O7 MolecularWeight: 484.54148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H30N2O3.C2H2O4/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20;3-1(4)2(5)6/h4-13H,3,14-19H2,1-2H3;(H,3,4)(H,5,6)