methyl 4-(3,4-dichlorophenyl)-5-oxidanylidene-5-(3-phenylmethoxyphenyl)pentanoate

Systemtic Name: methyl 4-(3,4-dichlorophenyl)-5-oxidanylidene-5-(3-phenylmethoxyphenyl)pentanoate Openeye Name: methyl 5-(3-benzyloxyphenyl)-4-(3,4-dichlorophenyl)-5-oxo-pentanoate CAS Name: 4-(3,4-dichlorophenyl)-5-oxo-5-(3-phenylmethoxyphenyl)pentanoic acid methyl ester IUPAC Name: methyl 4-(3,4-dichlorophenyl)-5-oxo-5-(3-phenylmethoxyphenyl)pentanoate Traditional Name: 5-(3-benzoxyphenyl)-4-(3,4-dichlorophenyl)-5-keto-valeric acid methyl ester Formula: C25H22Cl2O4 MolecularWeight: 457.34578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC(C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H22Cl2O4/c1-30-24(28)13-11-21(18-10-12-22(26)23(27)15-18)25(29)19-8-5-9-20(14-19)31-16-17-6-3-2-4-7-17/h2-10,12,14-15,21H,11,13,16H2,1H3