(phenylmethyl) 7-chloranyl-3-methyl-4-oxidanyl-5-propyl-1-benzofuran-2-carboxylate

Systemtic Name: (phenylmethyl) 7-chloranyl-3-methyl-4-oxidanyl-5-propyl-1-benzofuran-2-carboxylate Openeye Name: benzyl 7-chloro-4-hydroxy-3-methyl-5-propyl-benzofuran-2-carboxylate CAS Name: 7-chloro-4-hydroxy-3-methyl-5-propyl-2-benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-chloro-4-hydroxy-3-methyl-5-propyl-1-benzofuran-2-carboxylate Traditional Name: 7-chloro-4-hydroxy-3-methyl-5-propyl-coumarilic acid benzyl ester Formula: C20H19ClO4 MolecularWeight: 358.81546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C1O)C(=C(O2)C(=O)OCC3=CC=CC=C3)C)Cl

Isomeric SMILES

CCCC1=CC(=C2C(=C1O)C(=C(O2)C(=O)OCC3=CC=CC=C3)C)Cl

InChI

InChI=1S/C20H19ClO4/c1-3-7-14-10-15(21)19-16(17(14)22)12(2)18(25-19)20(23)24-11-13-8-5-4-6-9-13/h4-6,8-10,22H,3,7,11H2,1-2H3