methyl 4-(2-methylphenyl)-5-oxidanylidene-5-[3-(pyridin-4-ylmethoxy)phenyl]pentanoate

Systemtic Name: methyl 4-(2-methylphenyl)-5-oxidanylidene-5-[3-(pyridin-4-ylmethoxy)phenyl]pentanoate Openeye Name: methyl 4-(o-tolyl)-5-oxo-5-[3-(4-pyridylmethoxy)phenyl]pentanoate CAS Name: 4-(2-methylphenyl)-5-oxo-5-[3-(pyridin-4-ylmethoxy)phenyl]pentanoic acid methyl ester IUPAC Name: methyl 4-(2-methylphenyl)-5-oxo-5-[3-(pyridin-4-ylmethoxy)phenyl]pentanoate Traditional Name: 5-keto-4-(o-tolyl)-5-[3-(4-pyridylmethoxy)phenyl]valeric acid methyl ester Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)OC)C(=O)C2=CC(=CC=C2)OCC3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)OC)C(=O)C2=CC(=CC=C2)OCC3=CC=NC=C3

InChI

InChI=1S/C25H25NO4/c1-18-6-3-4-9-22(18)23(10-11-24(27)29-2)25(28)20-7-5-8-21(16-20)30-17-19-12-14-26-15-13-19/h3-9,12-16,23H,10-11,17H2,1-2H3