N-methyl-1-(4-methylphenyl)-3-naphthalen-2-yloxy-propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: N-methyl-1-(4-methylphenyl)-3-naphthalen-2-yloxy-propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: N-methyl-3-(2-naphthyloxy)-1-(p-tolyl)propan-1-amine citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; N-methyl-1-(4-methylphenyl)-3-(2-naphthalenyloxy)-1-propanamine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; N-methyl-1-(4-methylphenyl)-3-naphthalen-2-yloxypropan-1-amine Traditional Name: methyl-[3-(2-naphthoxy)-1-(p-tolyl)propyl]amine citrate Formula: C27H28NO8-3 MolecularWeight: 494.51312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCOC2=CC3=CC=CC=C3C=C2)NC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)C(CCOC2=CC3=CC=CC=C3C=C2)NC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C21H23NO.C6H8O7/c1-16-7-9-18(10-8-16)21(22-2)13-14-23-20-12-11-17-5-3-4-6-19(17)15-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,15,21-22H,13-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3