[2-butyl-6-chloranyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-5-methyl-pyridin-4-yl]methyl ethanoate

Systemtic Name: [2-butyl-6-chloranyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-5-methyl-pyridin-4-yl]methyl ethanoate Openeye Name: [2-butyl-6-chloro-3-[[4-(2-cyanophenyl)phenyl]methyl]-5-methyl-4-pyridyl]methyl acetate CAS Name: acetic acid [2-butyl-6-chloro-3-[[4-(2-cyanophenyl)phenyl]methyl]-5-methyl-4-pyridinyl]methyl ester IUPAC Name: [2-butyl-6-chloro-3-[[4-(2-cyanophenyl)phenyl]methyl]-5-methylpyridin-4-yl]methyl acetate Traditional Name: acetic acid [2-butyl-6-chloro-3-[4-(2-cyanophenyl)benzyl]-5-methyl-4-pyridyl]methyl ester Formula: C27H27ClN2O2 MolecularWeight: 446.96848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)COC(=O)C)C)Cl

Isomeric SMILES

CCCCC1=NC(=C(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)COC(=O)C)C)Cl

InChI

InChI=1S/C27H27ClN2O2/c1-4-5-10-26-24(25(17-32-19(3)31)18(2)27(28)30-26)15-20-11-13-21(14-12-20)23-9-7-6-8-22(23)16-29/h6-9,11-14H,4-5,10,15,17H2,1-3H3