(E)-but-2-enedioic acid; N-methyl-2-[(4,7,7-trimethyl-3-phenyl-3-bicyclo[2.2.1]heptanyl)oxy]ethanamine

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-2-[(4,7,7-trimethyl-3-phenyl-3-bicyclo[2.2.1]heptanyl)oxy]ethanamine Openeye Name: fumaric acid; N-methyl-2-(1,7,7-trimethyl-2-phenyl-norbornan-2-yl)oxy-ethanamine CAS Name: (E)-2-butenedioic acid; N-methyl-2-[(4,7,7-trimethyl-3-phenyl-3-bicyclo[2.2.1]heptanyl)oxy]ethanamine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-2-[(4,7,7-trimethyl-3-phenyl-3-bicyclo[2.2.1]heptanyl)oxy]ethanamine Traditional Name: fumaric acid; methyl-[2-(1,7,7-trimethyl-2-phenyl-norbornan-2-yl)oxyethyl]amine Formula: C23H33NO5 MolecularWeight: 403.51182

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(C2)(C3=CC=CC=C3)OCCNC)C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1(C2CCC1(C(C2)(C3=CC=CC=C3)OCCNC)C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H29NO.C4H4O4/c1-17(2)16-10-11-18(17,3)19(14-16,21-13-12-20-4)15-8-6-5-7-9-15;5-3(6)1-2-4(7)8/h5-9,16,20H,10-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+