(E)-but-2-enedioic acid; (1-methylpiperidin-4-yl) N-(3-propoxyphenyl)carbamate

Systemtic Name: (E)-but-2-enedioic acid; (1-methylpiperidin-4-yl) N-(3-propoxyphenyl)carbamate Openeye Name: fumaric acid; (1-methyl-4-piperidyl) N-(3-propoxyphenyl)carbamate CAS Name: (E)-2-butenedioic acid; N-(3-propoxyphenyl)carbamic acid (1-methyl-4-piperidinyl) ester IUPAC Name: (E)-but-2-enedioic acid; (1-methylpiperidin-4-yl) N-(3-propoxyphenyl)carbamate Traditional Name: fumaric acid; N-(3-propoxyphenyl)carbamic acid (1-methyl-4-piperidyl) ester Formula: C20H28N2O7 MolecularWeight: 408.44552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)NC(=O)OC2CCN(CC2)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCOC1=CC=CC(=C1)NC(=O)OC2CCN(CC2)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H24N2O3.C4H4O4/c1-3-11-20-15-6-4-5-13(12-15)17-16(19)21-14-7-9-18(2)10-8-14;5-3(6)1-2-4(7)8/h4-6,12,14H,3,7-11H2,1-2H3,(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1+