1-[(4-cyanophenyl)methyl]-3-methyl-2-oxidanylidene-cyclopentane-1-carboxylic acid

Systemtic Name: 1-[(4-cyanophenyl)methyl]-3-methyl-2-oxidanylidene-cyclopentane-1-carboxylic acid Openeye Name: 1-[(4-cyanophenyl)methyl]-3-methyl-2-oxo-cyclopentanecarboxylic acid CAS Name: 1-[(4-cyanophenyl)methyl]-3-methyl-2-oxo-1-cyclopentanecarboxylic acid IUPAC Name: 1-[(4-cyanophenyl)methyl]-3-methyl-2-oxocyclopentane-1-carboxylic acid Traditional Name: 1-(4-cyanobenzyl)-2-keto-3-methyl-cyclopentanecarboxylic acid Formula: C15H15NO3 MolecularWeight: 257.2845

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C1=O)(CC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CC1CCC(C1=O)(CC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C15H15NO3/c1-10-6-7-15(13(10)17,14(18)19)8-11-2-4-12(9-16)5-3-11/h2-5,10H,6-8H2,1H3,(H,18,19)