methyl 2-[4-[(5-acetyloxy-2-butyl-4-methyl-pyridin-3-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(5-acetyloxy-2-butyl-4-methyl-pyridin-3-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(5-acetoxy-2-butyl-4-methyl-3-pyridyl)methyl]phenyl]benzoate CAS Name: 2-[4-[(5-acetyloxy-2-butyl-4-methyl-3-pyridinyl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(5-acetyloxy-2-butyl-4-methylpyridin-3-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(5-acetoxy-2-butyl-4-methyl-3-pyridyl)methyl]phenyl]benzoic acid methyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C)OC(=O)C

Isomeric SMILES

CCCCC1=NC=C(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C)OC(=O)C

InChI

InChI=1S/C27H29NO4/c1-5-6-11-25-24(18(2)26(17-28-25)32-19(3)29)16-20-12-14-21(15-13-20)22-9-7-8-10-23(22)27(30)31-4/h7-10,12-15,17H,5-6,11,16H2,1-4H3