4-[6-azanyl-5-cyano-4-(3,4-diethoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[6-azanyl-5-cyano-4-(3,4-diethoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 4-[6-amino-5-cyano-4-(3,4-diethoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 4-[6-amino-5-cyano-4-(3,4-diethoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 4-[6-amino-5-cyano-4-(3,4-diethoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 4-[6-amino-5-cyano-4-(3,4-diethoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C(C(OC3=C2C(=NN3C4=CC=C(C=C4)C(=O)O)C)N)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(C(OC3=C2C(=NN3C4=CC=C(C=C4)C(=O)O)C)N)C#N)OCC

InChI

InChI=1S/C25H24N4O5/c1-4-32-19-11-8-16(12-20(19)33-5-2)22-18(13-26)23(27)34-24-21(22)14(3)28-29(24)17-9-6-15(7-10-17)25(30)31/h6-12,23H,4-5,27H2,1-3H3,(H,30,31)