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

Systemtic Name: N,N-diethyl-2-[2-(1-phenylethyl)phenoxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N,N-diethyl-2-[2-(1-phenylethyl)phenoxy]ethanamine CAS Name: N,N-diethyl-2-[2-(1-phenylethyl)phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N,N-diethyl-2-[2-(1-phenylethyl)phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; diethyl-[2-[2-(1-phenylethyl)phenoxy]ethyl]amine Formula: C26H35NO8 MolecularWeight: 489.558

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=CC=C1C(C)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC1=CC=CC=C1C(C)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C20H27NO.C6H8O7/c1-4-21(5-2)15-16-22-20-14-10-9-13-19(20)17(3)18-11-7-6-8-12-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-14,17H,4-5,15-16H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)