methyl 4-[2-azanyl-3-cyano-6-[4-(2-methylpropyl)phenyl]pyridin-4-yl]benzoate

Systemtic Name: methyl 4-[2-azanyl-3-cyano-6-[4-(2-methylpropyl)phenyl]pyridin-4-yl]benzoate Openeye Name: methyl 4-[2-amino-3-cyano-6-(4-isobutylphenyl)-4-pyridyl]benzoate CAS Name: 4-[2-amino-3-cyano-6-[4-(2-methylpropyl)phenyl]-4-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-3-cyano-6-[4-(2-methylpropyl)phenyl]pyridin-4-yl]benzoate Traditional Name: 4-[2-amino-3-cyano-6-(4-isobutylphenyl)-4-pyridyl]benzoic acid methyl ester Formula: C24H23N3O2 MolecularWeight: 385.45832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)C(=O)OC)C#N)N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)C(=O)OC)C#N)N

InChI

InChI=1S/C24H23N3O2/c1-15(2)12-16-4-6-18(7-5-16)22-13-20(21(14-25)23(26)27-22)17-8-10-19(11-9-17)24(28)29-3/h4-11,13,15H,12H2,1-3H3,(H2,26,27)