methyl 5-[3-[(3-chlorophenyl)methoxy]phenyl]-4-(2-methylphenyl)-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[3-[(3-chlorophenyl)methoxy]phenyl]-4-(2-methylphenyl)-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[3-[(3-chlorophenyl)methoxy]phenyl]-4-(o-tolyl)-5-oxo-pentanoate CAS Name: 5-[3-[(3-chlorophenyl)methoxy]phenyl]-4-(2-methylphenyl)-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[3-[(3-chlorophenyl)methoxy]phenyl]-4-(2-methylphenyl)-5-oxopentanoate Traditional Name: 5-[3-(3-chlorobenzyl)oxyphenyl]-5-keto-4-(o-tolyl)valeric acid methyl ester Formula: C26H25ClO4 MolecularWeight: 436.9273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)OC)C(=O)C2=CC(=CC=C2)OCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)OC)C(=O)C2=CC(=CC=C2)OCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C26H25ClO4/c1-18-7-3-4-12-23(18)24(13-14-25(28)30-2)26(29)20-9-6-11-22(16-20)31-17-19-8-5-10-21(27)15-19/h3-12,15-16,24H,13-14,17H2,1-2H3