methyl 5-oxidanylidene-5-(3-phenylmethoxyphenyl)-4-pyridin-2-yl-pentanoate

Systemtic Name: methyl 5-oxidanylidene-5-(3-phenylmethoxyphenyl)-4-pyridin-2-yl-pentanoate Openeye Name: methyl 5-(3-benzyloxyphenyl)-5-oxo-4-(2-pyridyl)pentanoate CAS Name: 5-oxo-5-(3-phenylmethoxyphenyl)-4-(2-pyridinyl)pentanoic acid methyl ester IUPAC Name: methyl 5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoate Traditional Name: 5-(3-benzoxyphenyl)-5-keto-4-(2-pyridyl)valeric acid methyl ester Formula: C24H23NO4 MolecularWeight: 389.44372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C1=CC=CC=N1)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC(C1=CC=CC=N1)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H23NO4/c1-28-23(26)14-13-21(22-12-5-6-15-25-22)24(27)19-10-7-11-20(16-19)29-17-18-8-3-2-4-9-18/h2-12,15-16,21H,13-14,17H2,1H3