2-[methyl(propan-2-yl)amino]propyl 2-cyclohex-2-en-1-yl-2-phenyl-ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-[methyl(propan-2-yl)amino]propyl 2-cyclohex-2-en-1-yl-2-phenyl-ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-[isopropyl(methyl)amino]propyl 2-cyclohex-2-en-1-yl-2-phenyl-acetate CAS Name: 2-(1-cyclohex-2-enyl)-2-phenylacetic acid 2-[methyl(propan-2-yl)amino]propyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-[methyl(propan-2-yl)amino]propyl 2-cyclohex-2-en-1-yl-2-phenylacetate Traditional Name: citric acid; 2-cyclohex-2-en-1-yl-2-phenyl-acetic acid 2-[isopropyl(methyl)amino]propyl ester Formula: C27H39NO9 MolecularWeight: 521.59986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C(C)COC(=O)C(C1CCCC=C1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(C)N(C)C(C)COC(=O)C(C1CCCC=C1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H31NO2.C6H8O7/c1-16(2)22(4)17(3)15-24-21(23)20(18-11-7-5-8-12-18)19-13-9-6-10-14-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h5,7-9,11-13,16-17,19-20H,6,10,14-15H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)