3-[(6,7-dimethoxy-1-phenyl-4H-indeno[1,2-c]pyrazol-3-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(6,7-dimethoxy-1-phenyl-4H-indeno[1,2-c]pyrazol-3-yl)carbonylamino]benzoic acid Openeye Name: 3-[(6,7-dimethoxy-1-phenyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]benzoic acid CAS Name: 3-[[(6,7-dimethoxy-1-phenyl-4H-indeno[1,2-c]pyrazol-3-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(6,7-dimethoxy-1-phenyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]benzoic acid Traditional Name: 3-[(6,7-dimethoxy-1-phenyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]benzoic acid Formula: C26H21N3O5 MolecularWeight: 455.46204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC3=C2N(N=C3C(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC3=C2N(N=C3C(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H21N3O5/c1-33-21-13-16-12-20-23(25(30)27-17-8-6-7-15(11-17)26(31)32)28-29(18-9-4-3-5-10-18)24(20)19(16)14-22(21)34-2/h3-11,13-14H,12H2,1-2H3,(H,27,30)(H,31,32)