1-(2-phenoxybutanoylamino)cyclohexane-1-carboxylic acid

Systemtic Name: 1-(2-phenoxybutanoylamino)cyclohexane-1-carboxylic acid Openeye Name: 1-(2-phenoxybutanoylamino)cyclohexanecarboxylic acid CAS Name: 1-[(1-oxo-2-phenoxybutyl)amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-(2-phenoxybutanoylamino)cyclohexane-1-carboxylic acid Traditional Name: 1-(2-phenoxybutanoylamino)cyclohexanecarboxylic acid Formula: C17H23NO4 MolecularWeight: 305.36882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1(CCCCC1)C(=O)O)OC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)NC1(CCCCC1)C(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C17H23NO4/c1-2-14(22-13-9-5-3-6-10-13)15(19)18-17(16(20)21)11-7-4-8-12-17/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3,(H,18,19)(H,20,21)