(E)-but-2-enedioic acid; 5-(1-methylpiperidin-4-ylidene)chromeno[2,3-b]pyridine

Systemtic Name: (E)-but-2-enedioic acid; 5-(1-methylpiperidin-4-ylidene)chromeno[2,3-b]pyridine Openeye Name: fumaric acid; 5-(1-methyl-4-piperidylidene)chromeno[2,3-b]pyridine CAS Name: (E)-2-butenedioic acid; 5-(1-methyl-4-piperidinylidene)[1]benzopyrano[2,3-b]pyridine IUPAC Name: (E)-but-2-enedioic acid; 5-(1-methylpiperidin-4-ylidene)chromeno[2,3-b]pyridine Traditional Name: fumaric acid; 5-(1-methyl-4-piperidylidene)chromeno[2,3-b]pyridine Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=C2C3=C(N=CC=C3)OC4=CC=CC=C42)CC1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(=C2C3=C(N=CC=C3)OC4=CC=CC=C42)CC1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H18N2O.C4H4O4/c1-20-11-8-13(9-12-20)17-14-5-2-3-7-16(14)21-18-15(17)6-4-10-19-18;5-3(6)1-2-4(7)8/h2-7,10H,8-9,11-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+