N-methyl-2-[(R)-(2-methylpyrazol-3-yl)-phenyl-methoxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-methyl-2-[(R)-(2-methylpyrazol-3-yl)-phenyl-methoxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N-methyl-2-[(R)-(2-methylpyrazol-3-yl)-phenyl-methoxy]ethanamine CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-methyl-2-[(R)-(2-methyl-3-pyrazolyl)-phenylmethoxy]ethanamine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-methyl-2-[(R)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine Traditional Name: citric acid; methyl-[2-[(R)-(2-methylpyrazol-3-yl)-phenyl-methoxy]ethyl]amine Formula: C20H27N3O8 MolecularWeight: 437.44368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCCOC(C1=CC=CC=C1)C2=CC=NN2C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CNCCO[C@H](C1=CC=CC=C1)C2=CC=NN2C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H19N3O.C6H8O7/c1-15-10-11-18-14(12-6-4-3-5-7-12)13-8-9-16-17(13)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,14-15H,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t14-;/m1./s1