(E)-but-2-enedioic acid; N,N-dimethyl-2-(5-methyl-2-propan-2-yl-phenoxy)ethanamine

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-2-(5-methyl-2-propan-2-yl-phenoxy)ethanamine Openeye Name: fumaric acid; 2-(2-isopropyl-5-methyl-phenoxy)-N,N-dimethyl-ethanamine CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine Traditional Name: fumaric acid; 2-(2-isopropyl-5-methyl-phenoxy)ethyl-dimethyl-amine Formula: C18H27NO5 MolecularWeight: 337.41068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO.C4H4O4/c1-11(2)13-7-6-12(3)10-14(13)16-9-8-15(4)5;5-3(6)1-2-4(7)8/h6-7,10-11H,8-9H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+