methyl (4S)-4-[(3aR,7aR)-6-methyl-3-methylidene-2-oxidanylidene-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentanoate

Systemtic Name: methyl (4S)-4-[(3aR,7aR)-6-methyl-3-methylidene-2-oxidanylidene-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentanoate Openeye Name: methyl (4S)-4-[(3aR,7aR)-6-methyl-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-5-yl]pentanoate CAS Name: (4S)-4-[(3aR,7aR)-6-methyl-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-5-yl]pentanoic acid methyl ester IUPAC Name: methyl (4S)-4-[(3aR,7aR)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentanoate Traditional Name: (4S)-4-[(3aR,7aR)-2-keto-6-methyl-3-methylene-3a,4,7,7a-tetrahydrobenzofuran-5-yl]valeric acid methyl ester Formula: C16H22O4 MolecularWeight: 278.34348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2C(C1)OC(=O)C2=C)C(C)CCC(=O)OC

Isomeric SMILES

CC1=C(C[C@H]2[C@@H](C1)OC(=O)C2=C)[C@@H](C)CCC(=O)OC

InChI

InChI=1S/C16H22O4/c1-9(5-6-15(17)19-4)12-8-13-11(3)16(18)20-14(13)7-10(12)2/h9,13-14H,3,5-8H2,1-2,4H3/t9-,13+,14+/m0/s1