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

Systemtic Name: methyl 2-[4-[[4-(acetyloxymethyl)-2-butyl-pyridin-3-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[4-(acetoxymethyl)-2-butyl-3-pyridyl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-(acetyloxymethyl)-2-butyl-3-pyridinyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(acetyloxymethyl)-2-butylpyridin-3-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-(acetoxymethyl)-2-butyl-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=CC(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)COC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO4/c1-4-5-10-26-25(22(15-16-28-26)18-32-19(2)29)17-20-11-13-21(14-12-20)23-8-6-7-9-24(23)27(30)31-3/h6-9,11-16H,4-5,10,17-18H2,1-3H3