N-methylmethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate; (E)-4-phenyl-3-(2-propoxyphenoxy)but-3-en-2-one

Systemtic Name: N-methylmethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate; (E)-4-phenyl-3-(2-propoxyphenoxy)but-3-en-2-one Openeye Name: N-methylmethanamine; (E)-4-phenyl-3-(2-propoxyphenoxy)but-3-en-2-one; citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; N-methylmethanamine; (E)-4-phenyl-3-(2-propoxyphenoxy)-3-buten-2-one IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; N-methylmethanamine; (E)-4-phenyl-3-(2-propoxyphenoxy)but-3-en-2-one Traditional Name: dimethylamine; (E)-4-phenyl-3-(2-propoxyphenoxy)but-3-en-2-one; citrate Formula: C27H32NO10-3 MolecularWeight: 530.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1OC(=CC2=CC=CC=C2)C(=O)C.CNC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCOC1=CC=CC=C1O/C(=C/C2=CC=CC=C2)/C(=O)C.CNC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C19H20O3.C6H8O7.C2H7N/c1-3-13-21-17-11-7-8-12-18(17)22-19(15(2)20)14-16-9-5-4-6-10-16;7-3(8)1-6(13,5(11)12)2-4(9)10;1-3-2/h4-12,14H,3,13H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3H,1-2H3/p-3/b19-14+;;