[5-(5-acetyloxypentan-2-yl)-6-methyl-3-methylidene-2-oxidanylidene-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] pyridine-3-carboxylate

Systemtic Name: [5-(5-acetyloxypentan-2-yl)-6-methyl-3-methylidene-2-oxidanylidene-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] pyridine-3-carboxylate Openeye Name: [5-(4-acetoxy-1-methyl-butyl)-6-methyl-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-4-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [5-(5-acetyloxypentan-2-yl)-6-methyl-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-4-yl] ester IUPAC Name: [5-(5-acetyloxypentan-2-yl)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [5-(4-acetoxy-1-methyl-butyl)-2-keto-6-methyl-3-methylene-3a,4,7,7a-tetrahydrobenzofuran-4-yl] ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(C1)OC(=O)C2=C)OC(=O)C3=CN=CC=C3)C(C)CCCOC(=O)C

Isomeric SMILES

CC1=C(C(C2C(C1)OC(=O)C2=C)OC(=O)C3=CN=CC=C3)C(C)CCCOC(=O)C

InChI

InChI=1S/C23H27NO6/c1-13(7-6-10-28-16(4)25)19-14(2)11-18-20(15(3)22(26)29-18)21(19)30-23(27)17-8-5-9-24-12-17/h5,8-9,12-13,18,20-21H,3,6-7,10-11H2,1-2,4H3