(E)-but-2-enedioic acid; 2-[6-methyl-9-(phenylmethyl)carbazol-4-yl]oxyethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-[6-methyl-9-(phenylmethyl)carbazol-4-yl]oxyethanamine Openeye Name: 2-(9-benzyl-6-methyl-carbazol-4-yl)oxyethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[[6-methyl-9-(phenylmethyl)-4-carbazolyl]oxy]ethanamine IUPAC Name: 2-(9-benzyl-6-methylcarbazol-4-yl)oxyethanamine; (E)-but-2-enedioic acid Traditional Name: 2-(9-benzyl-6-methyl-carbazol-4-yl)oxyethylamine; fumaric acid Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2C(=CC=C3)OCCN)CC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2C(=CC=C3)OCCN)CC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

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