methyl 5-(2-chloroethyl)-2-oxidanyl-6-phenyl-4-(phenylmethoxymethyl)-3-prop-2-enyl-benzoate

Systemtic Name: methyl 5-(2-chloroethyl)-2-oxidanyl-6-phenyl-4-(phenylmethoxymethyl)-3-prop-2-enyl-benzoate Openeye Name: methyl 3-allyl-4-(benzyloxymethyl)-5-(2-chloroethyl)-2-hydroxy-6-phenyl-benzoate CAS Name: 5-(2-chloroethyl)-2-hydroxy-6-phenyl-4-(phenylmethoxymethyl)-3-prop-2-enylbenzoic acid methyl ester IUPAC Name: methyl 5-(2-chloroethyl)-2-hydroxy-6-phenyl-4-(phenylmethoxymethyl)-3-prop-2-enylbenzoate Traditional Name: 3-allyl-4-(benzoxymethyl)-5-(2-chloroethyl)-2-hydroxy-6-phenyl-benzoic acid methyl ester Formula: C27H27ClO4 MolecularWeight: 450.95388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C(=C1O)CC=C)COCC2=CC=CC=C2)CCCl)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C(=C(C(=C1O)CC=C)COCC2=CC=CC=C2)CCCl)C3=CC=CC=C3

InChI

InChI=1S/C27H27ClO4/c1-3-10-22-23(18-32-17-19-11-6-4-7-12-19)21(15-16-28)24(20-13-8-5-9-14-20)25(26(22)29)27(30)31-2/h3-9,11-14,29H,1,10,15-18H2,2H3