methyl 4-chloranyl-3-[(3,5,7-trimethyl-1-adamantyl)carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[(3,5,7-trimethyl-1-adamantyl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(3,5,7-trimethyladamantane-1-carbonyl)amino]benzoate CAS Name: 4-chloro-3-[[oxo-(3,5,7-trimethyl-1-adamantyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(3,5,7-trimethyladamantane-1-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[(3,5,7-trimethyladamantane-1-carbonyl)amino]benzoic acid methyl ester Formula: C22H28ClNO3 MolecularWeight: 389.91562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC4=C(C=CC(=C4)C(=O)OC)Cl)C)C

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)C(=O)NC4=C(C=CC(=C4)C(=O)OC)Cl)C)C

InChI

InChI=1S/C22H28ClNO3/c1-19-8-20(2)10-21(3,9-19)13-22(11-19,12-20)18(26)24-16-7-14(17(25)27-4)5-6-15(16)23/h5-7H,8-13H2,1-4H3,(H,24,26)