propan-2-yl 3-(2-chloroethyl)-2-methyl-6-oxidanyl-4-(phenylmethoxymethyl)benzoate

Systemtic Name: propan-2-yl 3-(2-chloroethyl)-2-methyl-6-oxidanyl-4-(phenylmethoxymethyl)benzoate Openeye Name: isopropyl 4-(benzyloxymethyl)-3-(2-chloroethyl)-6-hydroxy-2-methyl-benzoate CAS Name: 3-(2-chloroethyl)-6-hydroxy-2-methyl-4-(phenylmethoxymethyl)benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2-chloroethyl)-6-hydroxy-2-methyl-4-(phenylmethoxymethyl)benzoate Traditional Name: 4-(benzoxymethyl)-3-(2-chloroethyl)-6-hydroxy-2-methyl-benzoic acid isopropyl ester Formula: C21H25ClO4 MolecularWeight: 376.8738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1C(=O)OC(C)C)O)COCC2=CC=CC=C2)CCCl

Isomeric SMILES

CC1=C(C(=CC(=C1C(=O)OC(C)C)O)COCC2=CC=CC=C2)CCCl

InChI

InChI=1S/C21H25ClO4/c1-14(2)26-21(24)20-15(3)18(9-10-22)17(11-19(20)23)13-25-12-16-7-5-4-6-8-16/h4-8,11,14,23H,9-10,12-13H2,1-3H3