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

Systemtic Name: 4-(2-methylphenyl)-5-oxidanylidene-5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoate Openeye Name: 4-(o-tolyl)-5-oxo-5-[3-(3-pyridylmethoxy)phenyl]pentanoate CAS Name: 4-(2-methylphenyl)-5-oxo-5-[3-(3-pyridinylmethoxy)phenyl]pentanoate IUPAC Name: 4-(2-methylphenyl)-5-oxo-5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoate Traditional Name: 5-keto-4-(o-tolyl)-5-[3-(3-pyridylmethoxy)phenyl]valerate Formula: C24H22NO4- MolecularWeight: 388.43578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)[O-])C(=O)C2=CC(=CC=C2)OCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)[O-])C(=O)C2=CC(=CC=C2)OCC3=CN=CC=C3

InChI

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