(E)-but-2-enedioic acid; 4-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]-2-methoxy-phenol

Systemtic Name: (E)-but-2-enedioic acid; 4-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]-2-methoxy-phenol Openeye Name: fumaric acid; 4-[(E)-3-isoindolin-2-ylprop-1-enyl]-2-methoxy-phenol CAS Name: (E)-2-butenedioic acid; 4-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]-2-methoxyphenol IUPAC Name: (E)-but-2-enedioic acid; 4-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]-2-methoxyphenol Traditional Name: fumaric acid; 4-[(E)-3-isoindolin-2-ylprop-1-enyl]-2-methoxy-phenol Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CCN2CC3=CC=CC=C3C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/CN2CC3=CC=CC=C3C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H19NO2.C4H4O4/c1-21-18-11-14(8-9-17(18)20)5-4-10-19-12-15-6-2-3-7-16(15)13-19;5-3(6)1-2-4(7)8/h2-9,11,20H,10,12-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b5-4+;2-1+