(E)-but-2-enedioic acid; 1-imidazol-1-yl-3-(4-methoxyphenyl)-N,N,2-trimethyl-propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-imidazol-1-yl-3-(4-methoxyphenyl)-N,N,2-trimethyl-propan-2-amine Openeye Name: fumaric acid; 1-imidazol-1-yl-3-(4-methoxyphenyl)-N,N,2-trimethyl-propan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(1-imidazolyl)-3-(4-methoxyphenyl)-N,N,2-trimethyl-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-imidazol-1-yl-3-(4-methoxyphenyl)-N,N,2-trimethylpropan-2-amine Traditional Name: fumaric acid; [1-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1-methyl-ethyl]-dimethyl-amine Formula: C20H27N3O5 MolecularWeight: 389.44548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC)(CN2C=CN=C2)N(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC)(CN2C=CN=C2)N(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H23N3O.C4H4O4/c1-16(18(2)3,12-19-10-9-17-13-19)11-14-5-7-15(20-4)8-6-14;5-3(6)1-2-4(7)8/h5-10,13H,11-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+