4-[(2-benzamidoethanoylamino)methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(2-benzamidoethanoylamino)methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(2-benzamidoacetyl)amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(2-benzamido-1-oxoethyl)amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(2-benzamidoacetyl)amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[(hippuroylamino)methyl]cyclohexanecarboxylic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CNC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)CNC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H22N2O4/c20-15(11-19-16(21)13-4-2-1-3-5-13)18-10-12-6-8-14(9-7-12)17(22)23/h1-5,12,14H,6-11H2,(H,18,20)(H,19,21)(H,22,23)