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

Systemtic Name: (E)-but-2-enedioic acid; 2-[9-[(4-methylphenyl)methyl]carbazol-4-yl]oxyethanamine Openeye Name: fumaric acid; 2-[9-(p-tolylmethyl)carbazol-4-yl]oxyethanamine CAS Name: (E)-2-butenedioic acid; 2-[[9-[(4-methylphenyl)methyl]-4-carbazolyl]oxy]ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-[9-[(4-methylphenyl)methyl]carbazol-4-yl]oxyethanamine Traditional Name: fumaric acid; 2-[9-(4-methylbenzyl)carbazol-4-yl]oxyethylamine Formula: C26H26N2O5 MolecularWeight: 446.49504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C4=CC=CC=C42)C(=CC=C3)OCCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C4=CC=CC=C42)C(=CC=C3)OCCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H22N2O.C4H4O4/c1-16-9-11-17(12-10-16)15-24-19-6-3-2-5-18(19)22-20(24)7-4-8-21(22)25-14-13-23;5-3(6)1-2-4(7)8/h2-12H,13-15,23H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+