N-(2-aminophenyl)-4-[(5,6-dimethoxyindazol-2-yl)methyl]benzamide; (E)-but-2-enedioic acid

Systemtic Name: N-(2-aminophenyl)-4-[(5,6-dimethoxyindazol-2-yl)methyl]benzamide; (E)-but-2-enedioic acid Openeye Name: N-(2-aminophenyl)-4-[(5,6-dimethoxyindazol-2-yl)methyl]benzamide; fumaric acid CAS Name: N-(2-aminophenyl)-4-[(5,6-dimethoxy-2-indazolyl)methyl]benzamide; (E)-2-butenedioic acid IUPAC Name: N-(2-aminophenyl)-4-[(5,6-dimethoxyindazol-2-yl)methyl]benzamide; (E)-but-2-enedioic acid Traditional Name: N-(2-aminophenyl)-4-[(5,6-dimethoxyindazol-2-yl)methyl]benzamide; fumaric acid Formula: C27H26N4O7 MolecularWeight: 518.51794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CN(N=C2C=C1OC)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=CN(N=C2C=C1OC)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H22N4O3.C4H4O4/c1-29-21-11-17-14-27(26-20(17)12-22(21)30-2)13-15-7-9-16(10-8-15)23(28)25-19-6-4-3-5-18(19)24;5-3(6)1-2-4(7)8/h3-12,14H,13,24H2,1-2H3,(H,25,28);1-2H,(H,5,6)(H,7,8)/b;2-1+