4-butan-2-yl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-propoxy-1,3-oxazole; (E)-but-2-enedioic acid

Systemtic Name: 4-butan-2-yl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-propoxy-1,3-oxazole; (E)-but-2-enedioic acid Openeye Name: fumaric acid; 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-propoxy-4-sec-butyl-oxazole CAS Name: 4-butan-2-yl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-propoxyoxazole; (E)-2-butenedioic acid IUPAC Name: 4-butan-2-yl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-propoxy-1,3-oxazole; (E)-but-2-enedioic acid Traditional Name: fumaric acid; 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-propoxy-4-sec-butyl-oxazole Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(N=C(O1)C2=CCCN(C2)C)C(C)CC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCOC1=C(N=C(O1)C2=CCCN(C2)C)C(C)CC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H26N2O2.C4H4O4/c1-5-10-19-16-14(12(3)6-2)17-15(20-16)13-8-7-9-18(4)11-13;5-3(6)1-2-4(7)8/h8,12H,5-7,9-11H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+