N,N-diethyl-2-[4-(4-phenylbutan-2-yl)phenoxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N,N-diethyl-2-[4-(4-phenylbutan-2-yl)phenoxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N,N-diethyl-2-[4-(1-methyl-3-phenyl-propyl)phenoxy]ethanamine CAS Name: N,N-diethyl-2-[4-(4-phenylbutan-2-yl)phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N,N-diethyl-2-[4-(4-phenylbutan-2-yl)phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; diethyl-[2-[4-(1-methyl-3-phenyl-propyl)phenoxy]ethyl]amine Formula: C28H39NO8 MolecularWeight: 517.61116

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)C(C)CCC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)C(C)CCC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C22H31NO.C6H8O7/c1-4-23(5-2)17-18-24-22-15-13-21(14-16-22)19(3)11-12-20-9-7-6-8-10-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-10,13-16,19H,4-5,11-12,17-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)