2-(2-diethylaminoethyloxy)ethyl 2-[4-(2-methylpropyl)phenyl]butanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-(2-diethylaminoethyloxy)ethyl 2-[4-(2-methylpropyl)phenyl]butanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-(2-diethylaminoethyloxy)ethyl 2-(4-isobutylphenyl)butanoate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-[4-(2-methylpropyl)phenyl]butanoic acid 2-(2-diethylaminoethyloxy)ethyl ester IUPAC Name: 2-(2-diethylaminoethyloxy)ethyl 2-[4-(2-methylpropyl)phenyl]butanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 2-(4-isobutylphenyl)butyric acid 2-(2-diethylaminoethyloxy)ethyl ester Formula: C28H45NO10 MolecularWeight: 555.6576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)CC(C)C)C(=O)OCCOCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)CC(C)C)C(=O)OCCOCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C22H37NO3.C6H8O7/c1-6-21(20-11-9-19(10-12-20)17-18(4)5)22(24)26-16-15-25-14-13-23(7-2)8-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-12,18,21H,6-8,13-17H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)