(E)-but-2-enedioic acid; 5-methyl-3-(1-methylpiperidin-4-yl)-1,2-benzoxazole

Systemtic Name: (E)-but-2-enedioic acid; 5-methyl-3-(1-methylpiperidin-4-yl)-1,2-benzoxazole Openeye Name: fumaric acid; 5-methyl-3-(1-methyl-4-piperidyl)-1,2-benzoxazole CAS Name: (E)-2-butenedioic acid; 5-methyl-3-(1-methyl-4-piperidinyl)-1,2-benzoxazole IUPAC Name: (E)-but-2-enedioic acid; 5-methyl-3-(1-methylpiperidin-4-yl)-1,2-benzoxazole Traditional Name: fumaric acid; 5-methyl-3-(1-methyl-4-piperidyl)indoxazene Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)ON=C2C3CCN(CC3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)ON=C2C3CCN(CC3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H18N2O.C4H4O4/c1-10-3-4-13-12(9-10)14(15-17-13)11-5-7-16(2)8-6-11;5-3(6)1-2-4(7)8/h3-4,9,11H,5-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+