methyl 2-(chloromethyl)-5-phenyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate

Systemtic Name: methyl 2-(chloromethyl)-5-phenyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate Openeye Name: methyl 2-(chloromethyl)-5-phenyl-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylate CAS Name: 2-(chloromethyl)-5-phenyl-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(chloromethyl)-5-phenyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate Traditional Name: 2-(chloromethyl)-5-phenyl-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylic acid methyl ester Formula: C17H19ClO3 MolecularWeight: 306.78396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(CC(C1)C3=CC=CC=C3)CC(O2)CCl

Isomeric SMILES

COC(=O)C1=C2C(CC(C1)C3=CC=CC=C3)CC(O2)CCl

InChI

InChI=1S/C17H19ClO3/c1-20-17(19)15-9-12(11-5-3-2-4-6-11)7-13-8-14(10-18)21-16(13)15/h2-6,12-14H,7-10H2,1H3