N-[(4-methoxy-3-prop-2-ynoxy-phenyl)methyl]-N-methyl-2-phenyl-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: N-[(4-methoxy-3-prop-2-ynoxy-phenyl)methyl]-N-methyl-2-phenyl-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: N-[(4-methoxy-3-prop-2-ynoxy-phenyl)methyl]-N-methyl-2-phenyl-ethanamine citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-N-methyl-2-phenylethanamine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-N-methyl-2-phenylethanamine Traditional Name: (4-methoxy-3-propargyloxy-benzyl)-methyl-phenethyl-amine citrate Formula: C26H28NO9-3 MolecularWeight: 498.50182

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)CC2=CC(=C(C=C2)OC)OCC#C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CN(CCC1=CC=CC=C1)CC2=CC(=C(C=C2)OC)OCC#C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C20H23NO2.C6H8O7/c1-4-14-23-20-15-18(10-11-19(20)22-3)16-21(2)13-12-17-8-6-5-7-9-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h1,5-11,15H,12-14,16H2,2-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3