methyl 4-[ethanoyl(phenylmethoxy)amino]-1-phenethyl-piperidine-4-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: methyl 4-[ethanoyl(phenylmethoxy)amino]-1-phenethyl-piperidine-4-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: methyl 4-[acetyl(benzyloxy)amino]-1-phenethyl-piperidine-4-carboxylate citrate CAS Name: 4-[acetyl(phenylmethoxy)amino]-1-phenethyl-4-piperidinecarboxylic acid methyl ester; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; methyl 4-[acetyl(phenylmethoxy)amino]-1-phenethylpiperidine-4-carboxylate Traditional Name: 4-[acetyl(benzoxy)amino]-1-phenethyl-isonipecotic acid methyl ester citrate Formula: C30H35N2O11-3 MolecularWeight: 599.6057

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1(CCN(CC1)CCC2=CC=CC=C2)C(=O)OC)OCC3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC(=O)N(C1(CCN(CC1)CCC2=CC=CC=C2)C(=O)OC)OCC3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C24H30N2O4.C6H8O7/c1-20(27)26(30-19-22-11-7-4-8-12-22)24(23(28)29-2)14-17-25(18-15-24)16-13-21-9-5-3-6-10-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12H,13-19H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3