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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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