methyl 3-(2-chloroethyl)-4-(methoxymethyl)-2-methyl-6-oxidanyl-5-(3-phenylpropyl)benzoate

Systemtic Name: methyl 3-(2-chloroethyl)-4-(methoxymethyl)-2-methyl-6-oxidanyl-5-(3-phenylpropyl)benzoate Openeye Name: methyl 5-(2-chloroethyl)-2-hydroxy-4-(methoxymethyl)-6-methyl-3-(3-phenylpropyl)benzoate CAS Name: 5-(2-chloroethyl)-2-hydroxy-4-(methoxymethyl)-6-methyl-3-(3-phenylpropyl)benzoic acid methyl ester IUPAC Name: methyl 5-(2-chloroethyl)-2-hydroxy-4-(methoxymethyl)-6-methyl-3-(3-phenylpropyl)benzoate Traditional Name: 5-(2-chloroethyl)-2-hydroxy-4-(methoxymethyl)-6-methyl-3-(3-phenylpropyl)benzoic acid methyl ester Formula: C22H27ClO4 MolecularWeight: 390.90038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CCCl)COC)CCCC2=CC=CC=C2)O)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C(=C1CCCl)COC)CCCC2=CC=CC=C2)O)C(=O)OC

InChI

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