(E)-but-2-enedioic acid; 1-[1-(3-methoxyphenyl)pyrrolidin-2-yl]-N,N-dimethyl-methanamine

Systemtic Name: (E)-but-2-enedioic acid; 1-[1-(3-methoxyphenyl)pyrrolidin-2-yl]-N,N-dimethyl-methanamine Openeye Name: fumaric acid; 1-[1-(3-methoxyphenyl)pyrrolidin-2-yl]-N,N-dimethyl-methanamine CAS Name: (E)-2-butenedioic acid; 1-[1-(3-methoxyphenyl)-2-pyrrolidinyl]-N,N-dimethylmethanamine IUPAC Name: (E)-but-2-enedioic acid; 1-[1-(3-methoxyphenyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine Traditional Name: fumaric acid; [1-(3-methoxyphenyl)pyrrolidin-2-yl]methyl-dimethyl-amine Formula: C18H26N2O5 MolecularWeight: 350.40944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCN1C2=CC(=CC=C2)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC1CCCN1C2=CC(=CC=C2)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H22N2O.C4H4O4/c1-15(2)11-13-7-5-9-16(13)12-6-4-8-14(10-12)17-3;5-3(6)1-2-4(7)8/h4,6,8,10,13H,5,7,9,11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+