1-[(4-chlorophenyl)methyl]-3-ethyl-2-oxidanylidene-cycloheptane-1-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-ethyl-2-oxidanylidene-cycloheptane-1-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)methyl]-3-ethyl-2-oxo-cycloheptanecarboxylic acid CAS Name: 1-[(4-chlorophenyl)methyl]-3-ethyl-2-oxo-1-cycloheptanecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-ethyl-2-oxocycloheptane-1-carboxylic acid Traditional Name: 1-(4-chlorobenzyl)-3-ethyl-2-keto-cycloheptanecarboxylic acid Formula: C17H21ClO3 MolecularWeight: 308.79984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCC(C1=O)(CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCC1CCCCC(C1=O)(CC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C17H21ClO3/c1-2-13-5-3-4-10-17(15(13)19,16(20)21)11-12-6-8-14(18)9-7-12/h6-9,13H,2-5,10-11H2,1H3,(H,20,21)