(E)-but-2-enedioic acid; N-[3-(3-methoxyphenyl)prop-2-ynoxy]heptan-3-imine

Systemtic Name: (E)-but-2-enedioic acid; N-[3-(3-methoxyphenyl)prop-2-ynoxy]heptan-3-imine Openeye Name: fumaric acid; N-[3-(3-methoxyphenyl)prop-2-ynoxy]heptan-3-imine CAS Name: (E)-2-butenedioic acid; N-[3-(3-methoxyphenyl)prop-2-ynoxy]-3-heptanimine IUPAC Name: (E)-but-2-enedioic acid; N-[3-(3-methoxyphenyl)prop-2-ynoxy]heptan-3-imine Traditional Name: (Z)-1-ethylpentylidene-[3-(3-methoxyphenyl)prop-2-ynoxy]amine; fumaric acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=NOCC#CC1=CC(=CC=C1)OC)CC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC/C(=N\OCC#CC1=CC(=CC=C1)OC)/CC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H23NO2.C4H4O4/c1-4-6-11-16(5-2)18-20-13-8-10-15-9-7-12-17(14-15)19-3;5-3(6)1-2-4(7)8/h7,9,12,14H,4-6,11,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b18-16-;2-1+