(Z)-2-[4-[[4-(dimethylamino)phenoxy]methyl]piperidin-2-yl]but-2-enedioic acid

Systemtic Name: (Z)-2-[4-[[4-(dimethylamino)phenoxy]methyl]piperidin-2-yl]but-2-enedioic acid Openeye Name: (Z)-2-[4-[[4-(dimethylamino)phenoxy]methyl]-2-piperidyl]but-2-enedioic acid CAS Name: (Z)-2-[4-[[4-(dimethylamino)phenoxy]methyl]-2-piperidinyl]-2-butenedioic acid IUPAC Name: (Z)-2-[4-[[4-(dimethylamino)phenoxy]methyl]piperidin-2-yl]but-2-enedioic acid Traditional Name: (Z)-2-[4-[[4-(dimethylamino)phenoxy]methyl]-2-piperidyl]but-2-enedioic acid Formula: C18H24N2O5 MolecularWeight: 348.39356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)OCC2CCNC(C2)C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)OCC2CCNC(C2)/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C18H24N2O5/c1-20(2)13-3-5-14(6-4-13)25-11-12-7-8-19-16(9-12)15(18(23)24)10-17(21)22/h3-6,10,12,16,19H,7-9,11H2,1-2H3,(H,21,22)(H,23,24)/b15-10-