2-oxidanylpropane-1,2,3-tricarboxylic acid; 3-pyrrolidin-1-ylbutan-2-yl 2-cyclohex-2-en-1-yl-2-phenyl-ethanoate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 3-pyrrolidin-1-ylbutan-2-yl 2-cyclohex-2-en-1-yl-2-phenyl-ethanoate Openeye Name: citric acid; (1-methyl-2-pyrrolidin-1-yl-propyl) 2-cyclohex-2-en-1-yl-2-phenyl-acetate CAS Name: 2-(1-cyclohex-2-enyl)-2-phenylacetic acid 3-(1-pyrrolidinyl)butan-2-yl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-pyrrolidin-1-ylbutan-2-yl 2-cyclohex-2-en-1-yl-2-phenylacetate Traditional Name: citric acid; 2-cyclohex-2-en-1-yl-2-phenyl-acetic acid (1-methyl-2-pyrrolidino-propyl) ester Formula: C28H39NO9 MolecularWeight: 533.61056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)OC(=O)C(C1CCCC=C1)C2=CC=CC=C2)N3CCCC3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(C(C)OC(=O)C(C1CCCC=C1)C2=CC=CC=C2)N3CCCC3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C22H31NO2.C6H8O7/c1-17(23-15-9-10-16-23)18(2)25-22(24)21(19-11-5-3-6-12-19)20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3,5-7,11-13,17-18,20-21H,4,8-10,14-16H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)