methyl 4-(2-azanyl-3-cyano-6-methyl-5-propyl-pyridin-4-yl)benzoate

Systemtic Name: methyl 4-(2-azanyl-3-cyano-6-methyl-5-propyl-pyridin-4-yl)benzoate Openeye Name: methyl 4-(2-amino-3-cyano-6-methyl-5-propyl-4-pyridyl)benzoate CAS Name: 4-(2-amino-3-cyano-6-methyl-5-propyl-4-pyridinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-3-cyano-6-methyl-5-propylpyridin-4-yl)benzoate Traditional Name: 4-(2-amino-3-cyano-6-methyl-5-propyl-4-pyridyl)benzoic acid methyl ester Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(C(=C1C2=CC=C(C=C2)C(=O)OC)C#N)N)C

Isomeric SMILES

CCCC1=C(N=C(C(=C1C2=CC=C(C=C2)C(=O)OC)C#N)N)C

InChI

InChI=1S/C18H19N3O2/c1-4-5-14-11(2)21-17(20)15(10-19)16(14)12-6-8-13(9-7-12)18(22)23-3/h6-9H,4-5H2,1-3H3,(H2,20,21)