(E)-but-2-enedioic acid; 2-[9-[(3-methoxyphenyl)methyl]carbazol-4-yl]oxyethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-[9-[(3-methoxyphenyl)methyl]carbazol-4-yl]oxyethanamine Openeye Name: fumaric acid; 2-[9-[(3-methoxyphenyl)methyl]carbazol-4-yl]oxyethanamine CAS Name: (E)-2-butenedioic acid; 2-[[9-[(3-methoxyphenyl)methyl]-4-carbazolyl]oxy]ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-[9-[(3-methoxyphenyl)methyl]carbazol-4-yl]oxyethanamine Traditional Name: fumaric acid; 2-(9-m-anisylcarbazol-4-yl)oxyethylamine Formula: C26H26N2O6 MolecularWeight: 462.49444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C3=C(C4=CC=CC=C42)C(=CC=C3)OCCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2C3=C(C4=CC=CC=C42)C(=CC=C3)OCCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H22N2O2.C4H4O4/c1-25-17-7-4-6-16(14-17)15-24-19-9-3-2-8-18(19)22-20(24)10-5-11-21(22)26-13-12-23;5-3(6)1-2-4(7)8/h2-11,14H,12-13,15,23H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+