methyl 4-(2-ethylphenyl)-5-oxidanylidene-5-(3-phenylmethoxyphenyl)pentanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(CCC(=O)OC)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1C(CCC(=O)OC)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

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