1-[(2-oxidanyl-2-phenyl-ethanoyl)amino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[(2-oxidanyl-2-phenyl-ethanoyl)amino]cycloheptane-1-carboxylic acid Openeye Name: 1-[(2-hydroxy-2-phenyl-acetyl)amino]cycloheptanecarboxylic acid CAS Name: 1-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[(2-hydroxy-2-phenylacetyl)amino]cycloheptane-1-carboxylic acid Traditional Name: 1-(mandeloylamino)cycloheptanecarboxylic acid Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C(=O)O)NC(=O)C(C2=CC=CC=C2)O

Isomeric SMILES

C1CCCC(CC1)(C(=O)O)NC(=O)C(C2=CC=CC=C2)O

InChI

InChI=1S/C16H21NO4/c18-13(12-8-4-3-5-9-12)14(19)17-16(15(20)21)10-6-1-2-7-11-16/h3-5,8-9,13,18H,1-2,6-7,10-11H2,(H,17,19)(H,20,21)