(E)-but-2-enedioic acid; ethyl 4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-ylmethyl)piperidine-1-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; ethyl 4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-ylmethyl)piperidine-1-carboxylate Openeye Name: ethyl 4-(3,4-dihydro-1H-benzofuro[2,3-c]pyridin-2-ylmethyl)piperidine-1-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(3,4-dihydro-1H-benzofuro[2,3-c]pyridin-2-ylmethyl)-1-piperidinecarboxylic acid ethyl ester IUPAC Name: (E)-but-2-enedioic acid; ethyl 4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-ylmethyl)piperidine-1-carboxylate Traditional Name: 4-(3,4-dihydro-1H-benzofuro[2,3-c]pyridin-2-ylmethyl)piperidine-1-carboxylic acid ethyl ester; fumaric acid Formula: C24H30N2O7 MolecularWeight: 458.5042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)CN2CCC3=C(C2)OC4=CC=CC=C34.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)CN2CCC3=C(C2)OC4=CC=CC=C34.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H26N2O3.C4H4O4/c1-2-24-20(23)22-11-7-15(8-12-22)13-21-10-9-17-16-5-3-4-6-18(16)25-19(17)14-21;5-3(6)1-2-4(7)8/h3-6,15H,2,7-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+