ethyl 4-phenyl-1-(3-phenylazanylpropyl)piperidine-4-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: ethyl 4-phenyl-1-(3-phenylazanylpropyl)piperidine-4-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; ethyl 1-(3-anilinopropyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(3-anilinopropyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 1-(3-anilinopropyl)-4-phenyl-isonipecotic acid ethyl ester; citric acid Formula: C29H38N2O9 MolecularWeight: 558.62002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCCNC2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCCNC2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C23H30N2O2.C6H8O7/c1-2-27-22(26)23(20-10-5-3-6-11-20)14-18-25(19-15-23)17-9-16-24-21-12-7-4-8-13-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,10-13,24H,2,9,14-19H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)