N,N-diethyl-3-(2-methoxyphenyl)propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N,N-diethyl-3-(2-methoxyphenyl)propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N,N-diethyl-3-(2-methoxyphenyl)propan-1-amine CAS Name: N,N-diethyl-3-(2-methoxyphenyl)-1-propanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N,N-diethyl-3-(2-methoxyphenyl)propan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; diethyl-[3-(2-methoxyphenyl)propyl]amine Formula: C20H31NO8 MolecularWeight: 413.46204

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC1=CC=CC=C1OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCCC1=CC=CC=C1OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H23NO.C6H8O7/c1-4-15(5-2)12-8-10-13-9-6-7-11-14(13)16-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-7,9,11H,4-5,8,10,12H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)