methyl 2-[3-chloranyl-4-[3-(3-oxidanyl-4-pentanoyl-2-propyl-phenoxy)propyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-chloranyl-4-[3-(3-oxidanyl-4-pentanoyl-2-propyl-phenoxy)propyl]phenyl]ethanoate Openeye Name: methyl 2-[3-chloro-4-[3-(3-hydroxy-4-pentanoyl-2-propyl-phenoxy)propyl]phenyl]acetate CAS Name: 2-[3-chloro-4-[3-[3-hydroxy-4-(1-oxopentyl)-2-propylphenoxy]propyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-chloro-4-[3-(3-hydroxy-4-pentanoyl-2-propylphenoxy)propyl]phenyl]acetate Traditional Name: 2-[3-chloro-4-[3-(3-hydroxy-2-propyl-4-valeryl-phenoxy)propyl]phenyl]acetic acid methyl ester Formula: C26H33ClO5 MolecularWeight: 460.99022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(C(=C(C=C1)OCCCC2=C(C=C(C=C2)CC(=O)OC)Cl)CCC)O

Isomeric SMILES

CCCCC(=O)C1=C(C(=C(C=C1)OCCCC2=C(C=C(C=C2)CC(=O)OC)Cl)CCC)O

InChI

InChI=1S/C26H33ClO5/c1-4-6-10-23(28)20-13-14-24(21(8-5-2)26(20)30)32-15-7-9-19-12-11-18(16-22(19)27)17-25(29)31-3/h11-14,16,30H,4-10,15,17H2,1-3H3