5-[2-(4-cyanophenyl)ethyl]-6-methyl-5-oxidanyl-3-oxidanylidene-heptanoic acid

Systemtic Name: 5-[2-(4-cyanophenyl)ethyl]-6-methyl-5-oxidanyl-3-oxidanylidene-heptanoic acid Openeye Name: 5-[2-(4-cyanophenyl)ethyl]-5-hydroxy-6-methyl-3-oxo-heptanoic acid CAS Name: 5-[2-(4-cyanophenyl)ethyl]-5-hydroxy-6-methyl-3-oxoheptanoic acid IUPAC Name: 5-[2-(4-cyanophenyl)ethyl]-5-hydroxy-6-methyl-3-oxoheptanoic acid Traditional Name: 5-[2-(4-cyanophenyl)ethyl]-5-hydroxy-3-keto-6-methyl-enanthic acid Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC1=CC=C(C=C1)C#N)(CC(=O)CC(=O)O)O

Isomeric SMILES

CC(C)C(CCC1=CC=C(C=C1)C#N)(CC(=O)CC(=O)O)O

InChI

InChI=1S/C17H21NO4/c1-12(2)17(22,10-15(19)9-16(20)21)8-7-13-3-5-14(11-18)6-4-13/h3-6,12,22H,7-10H2,1-2H3,(H,20,21)