(E)-but-2-enedioic acid; 3-[2-dimethylaminoethyloxy(phenyl)methyl]-4-methyl-phenol

Systemtic Name: (E)-but-2-enedioic acid; 3-[2-dimethylaminoethyloxy(phenyl)methyl]-4-methyl-phenol Openeye Name: 3-[2-dimethylaminoethyloxy(phenyl)methyl]-4-methyl-phenol; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[2-dimethylaminoethyloxy(phenyl)methyl]-4-methylphenol IUPAC Name: (E)-but-2-enedioic acid; 3-[2-dimethylaminoethyloxy(phenyl)methyl]-4-methylphenol Traditional Name: 3-[2-dimethylaminoethyloxy(phenyl)methyl]-4-methyl-phenol; fumaric acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)O)C(C2=CC=CC=C2)OCCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)O)C(C2=CC=CC=C2)OCCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H23NO2.C4H4O4/c1-14-9-10-16(20)13-17(14)18(21-12-11-19(2)3)15-7-5-4-6-8-15;5-3(6)1-2-4(7)8/h4-10,13,18,20H,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+