(phenylmethyl) (3S,3aR,7aR)-2-oxidanylidene-3-prop-2-enyl-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate

Systemtic Name: (phenylmethyl) (3S,3aR,7aR)-2-oxidanylidene-3-prop-2-enyl-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate Openeye Name: benzyl (3S,3aR,7aR)-3-allyl-2-oxo-3a,4,5,7a-tetrahydrobenzofuran-3-carboxylate CAS Name: (3S,3aR,7aR)-2-oxo-3-prop-2-enyl-3a,4,5,7a-tetrahydrobenzofuran-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,3aR,7aR)-2-oxo-3-prop-2-enyl-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate Traditional Name: (3S,3aR,7aR)-3-allyl-2-keto-3a,4,5,7a-tetrahydrobenzofuran-3-carboxylic acid benzyl ester Formula: C19H20O4 MolecularWeight: 312.3597

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C2CCC=CC2OC1=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C=CC[C@]1([C@H]2CCC=C[C@H]2OC1=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20O4/c1-2-12-19(15-10-6-7-11-16(15)23-18(19)21)17(20)22-13-14-8-4-3-5-9-14/h2-5,7-9,11,15-16H,1,6,10,12-13H2/t15-,16+,19-/m0/s1