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

Systemtic Name: 4-(2-methylphenyl)-5-oxidanylidene-5-[3-(pyridin-4-ylmethoxy)phenyl]pentanoic acid Openeye Name: 4-(o-tolyl)-5-oxo-5-[3-(4-pyridylmethoxy)phenyl]pentanoic acid CAS Name: 4-(2-methylphenyl)-5-oxo-5-[3-(pyridin-4-ylmethoxy)phenyl]pentanoic acid IUPAC Name: 4-(2-methylphenyl)-5-oxo-5-[3-(pyridin-4-ylmethoxy)phenyl]pentanoic acid Traditional Name: 5-keto-4-(o-tolyl)-5-[3-(4-pyridylmethoxy)phenyl]valeric acid Formula: C24H23NO4 MolecularWeight: 389.44372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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