2-methylpropyl 4-[6-azanyl-5-cyano-4-(4-methoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate

Systemtic Name: 2-methylpropyl 4-[6-azanyl-5-cyano-4-(4-methoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate Openeye Name: isobutyl 4-[6-amino-5-cyano-4-(4-methoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate CAS Name: 4-[6-amino-5-cyano-4-(4-methoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[6-amino-5-cyano-4-(4-methoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate Traditional Name: 4-[6-amino-5-cyano-4-(4-methoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid isobutyl ester Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(=O)OCC(C)C

Isomeric SMILES

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(=O)OCC(C)C

InChI

InChI=1S/C26H26N4O4/c1-15(2)14-33-26(31)18-5-9-19(10-6-18)30-25-22(16(3)29-30)23(21(13-27)24(28)34-25)17-7-11-20(32-4)12-8-17/h5-12,15,23H,14,28H2,1-4H3