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

Systemtic Name: 2-methylpropyl 3-(2-chloroethyl)-2-methyl-6-oxidanyl-4-(phenylmethoxymethyl)benzoate Openeye Name: isobutyl 4-(benzyloxymethyl)-3-(2-chloroethyl)-6-hydroxy-2-methyl-benzoate CAS Name: 3-(2-chloroethyl)-6-hydroxy-2-methyl-4-(phenylmethoxymethyl)benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(2-chloroethyl)-6-hydroxy-2-methyl-4-(phenylmethoxymethyl)benzoate Traditional Name: 4-(benzoxymethyl)-3-(2-chloroethyl)-6-hydroxy-2-methyl-benzoic acid isobutyl ester Formula: C22H27ClO4 MolecularWeight: 390.90038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClO4/c1-15(2)12-27-22(25)21-16(3)19(9-10-23)18(11-20(21)24)14-26-13-17-7-5-4-6-8-17/h4-8,11,15,24H,9-10,12-14H2,1-3H3