ethyl 2-[4-[(3-oxidanyl-4-pentanoyl-2-propyl-phenyl)methoxy]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[(3-oxidanyl-4-pentanoyl-2-propyl-phenyl)methoxy]phenyl]ethanoate Openeye Name: ethyl 2-[4-[(3-hydroxy-4-pentanoyl-2-propyl-phenyl)methoxy]phenyl]acetate CAS Name: 2-[4-[[3-hydroxy-4-(1-oxopentyl)-2-propylphenyl]methoxy]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(3-hydroxy-4-pentanoyl-2-propylphenyl)methoxy]phenyl]acetate Traditional Name: 2-[4-(3-hydroxy-2-propyl-4-valeryl-benzyl)oxyphenyl]acetic acid ethyl ester Formula: C25H32O5 MolecularWeight: 412.51858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(C(=C(C=C1)COC2=CC=C(C=C2)CC(=O)OCC)CCC)O

Isomeric SMILES

CCCCC(=O)C1=C(C(=C(C=C1)COC2=CC=C(C=C2)CC(=O)OCC)CCC)O

InChI

InChI=1S/C25H32O5/c1-4-7-9-23(26)22-15-12-19(21(8-5-2)25(22)28)17-30-20-13-10-18(11-14-20)16-24(27)29-6-3/h10-15,28H,4-9,16-17H2,1-3H3