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

Systemtic Name: 2-methylpropyl 3-(2-chloroethyl)-6-oxidanyl-2-phenyl-4-(phenylmethoxymethyl)benzoate Openeye Name: isobutyl 4-(benzyloxymethyl)-3-(2-chloroethyl)-6-hydroxy-2-phenyl-benzoate CAS Name: 3-(2-chloroethyl)-6-hydroxy-2-phenyl-4-(phenylmethoxymethyl)benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(2-chloroethyl)-6-hydroxy-2-phenyl-4-(phenylmethoxymethyl)benzoate Traditional Name: 4-(benzoxymethyl)-3-(2-chloroethyl)-6-hydroxy-2-phenyl-benzoic acid isobutyl ester Formula: C27H29ClO4 MolecularWeight: 452.96976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=C(C=C(C(=C1C2=CC=CC=C2)CCCl)COCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)COC(=O)C1=C(C=C(C(=C1C2=CC=CC=C2)CCCl)COCC3=CC=CC=C3)O

InChI

InChI=1S/C27H29ClO4/c1-19(2)16-32-27(30)26-24(29)15-22(18-31-17-20-9-5-3-6-10-20)23(13-14-28)25(26)21-11-7-4-8-12-21/h3-12,15,19,29H,13-14,16-18H2,1-2H3