methyl 3-(2-chloroethyl)-2-methyl-6-oxidanyl-4-(phenylmethoxymethyl)-5-propyl-benzoate

Systemtic Name: methyl 3-(2-chloroethyl)-2-methyl-6-oxidanyl-4-(phenylmethoxymethyl)-5-propyl-benzoate Openeye Name: methyl 4-(benzyloxymethyl)-5-(2-chloroethyl)-2-hydroxy-6-methyl-3-propyl-benzoate CAS Name: 5-(2-chloroethyl)-2-hydroxy-6-methyl-4-(phenylmethoxymethyl)-3-propylbenzoic acid methyl ester IUPAC Name: methyl 5-(2-chloroethyl)-2-hydroxy-6-methyl-4-(phenylmethoxymethyl)-3-propylbenzoate Traditional Name: 4-(benzoxymethyl)-5-(2-chloroethyl)-2-hydroxy-6-methyl-3-propyl-benzoic acid methyl ester Formula: C22H27ClO4 MolecularWeight: 390.90038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1COCC2=CC=CC=C2)CCCl)C)C(=O)OC)O

Isomeric SMILES

CCCC1=C(C(=C(C(=C1COCC2=CC=CC=C2)CCCl)C)C(=O)OC)O

InChI

InChI=1S/C22H27ClO4/c1-4-8-18-19(14-27-13-16-9-6-5-7-10-16)17(11-12-23)15(2)20(21(18)24)22(25)26-3/h5-7,9-10,24H,4,8,11-14H2,1-3H3