methyl 4-(2-methylphenyl)-5-oxidanylidene-5-(3-phenethyloxyphenyl)pentanoate

Systemtic Name: methyl 4-(2-methylphenyl)-5-oxidanylidene-5-(3-phenethyloxyphenyl)pentanoate Openeye Name: methyl 4-(o-tolyl)-5-oxo-5-(3-phenethyloxyphenyl)pentanoate CAS Name: 4-(2-methylphenyl)-5-oxo-5-(3-phenethyloxyphenyl)pentanoic acid methyl ester IUPAC Name: methyl 4-(2-methylphenyl)-5-oxo-5-(3-phenethyloxyphenyl)pentanoate Traditional Name: 5-keto-4-(o-tolyl)-5-(3-phenethyloxyphenyl)valeric acid methyl ester Formula: C27H28O4 MolecularWeight: 416.50882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)OC)C(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)OC)C(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H28O4/c1-20-9-6-7-14-24(20)25(15-16-26(28)30-2)27(29)22-12-8-13-23(19-22)31-18-17-21-10-4-3-5-11-21/h3-14,19,25H,15-18H2,1-2H3