methyl 4-(2,5-dimethylphenyl)-5-oxidanylidene-5-(3-phenylmethoxyphenyl)pentanoate

Systemtic Name: methyl 4-(2,5-dimethylphenyl)-5-oxidanylidene-5-(3-phenylmethoxyphenyl)pentanoate Openeye Name: methyl 5-(3-benzyloxyphenyl)-4-(2,5-dimethylphenyl)-5-oxo-pentanoate CAS Name: 4-(2,5-dimethylphenyl)-5-oxo-5-(3-phenylmethoxyphenyl)pentanoic acid methyl ester IUPAC Name: methyl 4-(2,5-dimethylphenyl)-5-oxo-5-(3-phenylmethoxyphenyl)pentanoate Traditional Name: 5-(3-benzoxyphenyl)-4-(2,5-dimethylphenyl)-5-keto-valeric acid methyl ester Formula: C27H28O4 MolecularWeight: 416.50882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(CCC(=O)OC)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(CCC(=O)OC)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C27H28O4/c1-19-12-13-20(2)25(16-19)24(14-15-26(28)30-3)27(29)22-10-7-11-23(17-22)31-18-21-8-5-4-6-9-21/h4-13,16-17,24H,14-15,18H2,1-3H3