[4-[5-(3-methylpentyl)pyridin-2-yl]phenyl] 2-chloranyl-3-methyl-butanoate

Systemtic Name: [4-[5-(3-methylpentyl)pyridin-2-yl]phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [4-[5-(3-methylpentyl)-2-pyridyl]phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid [4-[5-(3-methylpentyl)-2-pyridinyl]phenyl] ester IUPAC Name: [4-[5-(3-methylpentyl)pyridin-2-yl]phenyl] 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [4-[5-(3-methylpentyl)-2-pyridyl]phenyl] ester Formula: C22H28ClNO2 MolecularWeight: 373.91622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C(C)C)Cl

Isomeric SMILES

CCC(C)CCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C(C)C)Cl

InChI

InChI=1S/C22H28ClNO2/c1-5-16(4)6-7-17-8-13-20(24-14-17)18-9-11-19(12-10-18)26-22(25)21(23)15(2)3/h8-16,21H,5-7H2,1-4H3