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

Systemtic Name: 2-[9-[(3-bromophenyl)methyl]carbazol-4-yl]oxyethanamine; (E)-but-2-enedioic acid Openeye Name: 2-[9-[(3-bromophenyl)methyl]carbazol-4-yl]oxyethanamine; fumaric acid CAS Name: 2-[[9-[(3-bromophenyl)methyl]-4-carbazolyl]oxy]ethanamine; (E)-2-butenedioic acid IUPAC Name: 2-[9-[(3-bromophenyl)methyl]carbazol-4-yl]oxyethanamine; (E)-but-2-enedioic acid Traditional Name: 2-[9-(3-bromobenzyl)carbazol-4-yl]oxyethylamine; fumaric acid Formula: C25H23BrN2O5 MolecularWeight: 511.36452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2CC4=CC(=CC=C4)Br)C=CC=C3OCCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2CC4=CC(=CC=C4)Br)C=CC=C3OCCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H19BrN2O.C4H4O4/c22-16-6-3-5-15(13-16)14-24-18-8-2-1-7-17(18)21-19(24)9-4-10-20(21)25-12-11-23;5-3(6)1-2-4(7)8/h1-10,13H,11-12,14,23H2;1-2H,(H,5,6)(H,7,8)/b;2-1+