propan-2-yl 5-(3-cyanophenyl)-5-oxidanyl-3-oxidanylidene-pentanoate

Systemtic Name: propan-2-yl 5-(3-cyanophenyl)-5-oxidanyl-3-oxidanylidene-pentanoate Openeye Name: isopropyl 5-(3-cyanophenyl)-5-hydroxy-3-oxo-pentanoate CAS Name: 5-(3-cyanophenyl)-5-hydroxy-3-oxopentanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(3-cyanophenyl)-5-hydroxy-3-oxopentanoate Traditional Name: 5-(3-cyanophenyl)-5-hydroxy-3-keto-valeric acid isopropyl ester Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(=O)CC(C1=CC=CC(=C1)C#N)O

Isomeric SMILES

CC(C)OC(=O)CC(=O)CC(C1=CC=CC(=C1)C#N)O

InChI

InChI=1S/C15H17NO4/c1-10(2)20-15(19)8-13(17)7-14(18)12-5-3-4-11(6-12)9-16/h3-6,10,14,18H,7-8H2,1-2H3