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

Systemtic Name: N,N-diethyl-2-[4-methyl-2-(1-phenylethyl)phenoxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N,N-diethyl-2-[4-methyl-2-(1-phenylethyl)phenoxy]ethanamine CAS Name: N,N-diethyl-2-[4-methyl-2-(1-phenylethyl)phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N,N-diethyl-2-[4-methyl-2-(1-phenylethyl)phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; diethyl-[2-[4-methyl-2-(1-phenylethyl)phenoxy]ethyl]amine Formula: C27H37NO8 MolecularWeight: 503.58458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO.C6H8O7/c1-5-22(6-2)14-15-23-21-13-12-17(3)16-20(21)18(4)19-10-8-7-9-11-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-13,16,18H,5-6,14-15H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)