2-[(3,5,7-trimethyl-1-adamantyl)carbonylamino]benzoic acid

Systemtic Name: 2-[(3,5,7-trimethyl-1-adamantyl)carbonylamino]benzoic acid Openeye Name: 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]benzoic acid CAS Name: 2-[[oxo-(3,5,7-trimethyl-1-adamantyl)methyl]amino]benzoic acid IUPAC Name: 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]benzoic acid Traditional Name: 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]benzoic acid Formula: C21H27NO3 MolecularWeight: 341.44398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC4=CC=CC=C4C(=O)O)C)C

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC4=CC=CC=C4C(=O)O)C)C

InChI

InChI=1S/C21H27NO3/c1-18-8-19(2)10-20(3,9-18)13-21(11-18,12-19)17(25)22-15-7-5-4-6-14(15)16(23)24/h4-7H,8-13H2,1-3H3,(H,22,25)(H,23,24)