4-[(4-ethoxycarbonyl-5,6-diphenyl-pyridazin-3-yl)amino]benzoic acid

Systemtic Name: 4-[(4-ethoxycarbonyl-5,6-diphenyl-pyridazin-3-yl)amino]benzoic acid Openeye Name: 4-[(4-ethoxycarbonyl-5,6-diphenyl-pyridazin-3-yl)amino]benzoic acid CAS Name: 4-[(4-ethoxycarbonyl-5,6-diphenyl-3-pyridazinyl)amino]benzoic acid IUPAC Name: 4-[(4-ethoxycarbonyl-5,6-diphenylpyridazin-3-yl)amino]benzoic acid Traditional Name: 4-[(4-carbethoxy-5,6-diphenyl-pyridazin-3-yl)amino]benzoic acid Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN=C1NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=NN=C1NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H21N3O4/c1-2-33-26(32)22-21(17-9-5-3-6-10-17)23(18-11-7-4-8-12-18)28-29-24(22)27-20-15-13-19(14-16-20)25(30)31/h3-16H,2H2,1H3,(H,27,29)(H,30,31)