methyl 2-[2,3-dimethoxy-4-[3-(3-methylbutyl)phenyl]-6-propanoyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[2,3-dimethoxy-4-[3-(3-methylbutyl)phenyl]-6-propanoyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-(3-isopentylphenyl)-2,3-dimethoxy-6-propanoyl-phenoxy]acetate CAS Name: 2-[2,3-dimethoxy-4-[3-(3-methylbutyl)phenyl]-6-(1-oxopropyl)phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2,3-dimethoxy-4-[3-(3-methylbutyl)phenyl]-6-propanoylphenoxy]acetate Traditional Name: 2-[4-(3-isoamylphenyl)-2,3-dimethoxy-6-propionyl-phenoxy]acetic acid methyl ester Formula: C25H32O6 MolecularWeight: 428.51798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C(C(=C1)C2=CC(=CC=C2)CCC(C)C)OC)OC)OCC(=O)OC

Isomeric SMILES

CCC(=O)C1=C(C(=C(C(=C1)C2=CC(=CC=C2)CCC(C)C)OC)OC)OCC(=O)OC

InChI

InChI=1S/C25H32O6/c1-7-21(26)20-14-19(18-10-8-9-17(13-18)12-11-16(2)3)23(29-5)25(30-6)24(20)31-15-22(27)28-4/h8-10,13-14,16H,7,11-12,15H2,1-6H3