methyl 2-[(2S,3R)-3-butyl-5-oxidanyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S,3R)-3-butyl-5-oxidanyl-6-prop-2-enyl-2,3-dihydro-1-benzofuran-2-yl]ethanoate Openeye Name: methyl 2-[(2S,3R)-6-allyl-3-butyl-5-hydroxy-2,3-dihydrobenzofuran-2-yl]acetate CAS Name: 2-[(2S,3R)-3-butyl-5-hydroxy-6-prop-2-enyl-2,3-dihydrobenzofuran-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S,3R)-3-butyl-5-hydroxy-6-prop-2-enyl-2,3-dihydro-1-benzofuran-2-yl]acetate Traditional Name: 2-[(2S,3R)-6-allyl-3-butyl-5-hydroxy-coumaran-2-yl]acetic acid methyl ester Formula: C18H24O4 MolecularWeight: 304.38076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(OC2=CC(=C(C=C12)O)CC=C)CC(=O)OC

Isomeric SMILES

CCCC[C@H]1[C@@H](OC2=CC(=C(C=C12)O)CC=C)CC(=O)OC

InChI

InChI=1S/C18H24O4/c1-4-6-8-13-14-10-15(19)12(7-5-2)9-16(14)22-17(13)11-18(20)21-3/h5,9-10,13,17,19H,2,4,6-8,11H2,1,3H3/t13-,17+/m1/s1