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

Systemtic Name: 4-[6-azanyl-5-cyano-4-(4-ethoxy-3-methoxy-phenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 4-[6-amino-5-cyano-4-(4-ethoxy-3-methoxy-phenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 4-[6-amino-5-cyano-4-(4-ethoxy-3-methoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 4-[6-amino-5-cyano-4-(4-ethoxy-3-methoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 4-[6-amino-5-cyano-4-(4-ethoxy-3-methoxy-phenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Formula: C24H22N4O5 MolecularWeight: 446.45528

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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)OC

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)OC

InChI

InChI=1S/C24H22N4O5/c1-4-32-18-10-7-15(11-19(18)31-3)21-17(12-25)22(26)33-23-20(21)13(2)27-28(23)16-8-5-14(6-9-16)24(29)30/h5-11,22H,4,26H2,1-3H3,(H,29,30)