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

Systemtic Name: 5-oxidanylidene-5-(3-phenylmethoxyphenyl)-4-pyridin-2-yl-pentanoate Openeye Name: 5-(3-benzyloxyphenyl)-5-oxo-4-(2-pyridyl)pentanoate CAS Name: 5-oxo-5-(3-phenylmethoxyphenyl)-4-(2-pyridinyl)pentanoate IUPAC Name: 5-oxo-5-(3-phenylmethoxyphenyl)-4-pyridin-2-ylpentanoate Traditional Name: 5-(3-benzoxyphenyl)-5-keto-4-(2-pyridyl)valerate Formula: C23H20NO4- MolecularWeight: 374.4092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)C(CCC(=O)[O-])C3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)C(CCC(=O)[O-])C3=CC=CC=N3

InChI

InChI=1S/C23H21NO4/c25-22(26)13-12-20(21-11-4-5-14-24-21)23(27)18-9-6-10-19(15-18)28-16-17-7-2-1-3-8-17/h1-11,14-15,20H,12-13,16H2,(H,25,26)/p-1