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

Systemtic Name: methyl 4-chloranyl-3-[(3,5-dimethyl-1-adamantyl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(3,5-dimethyladamantane-1-carbonyl)amino]benzoate CAS Name: 4-chloro-3-[[(3,5-dimethyl-1-adamantyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(3,5-dimethyladamantane-1-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[(3,5-dimethyladamantane-1-carbonyl)amino]benzoic acid methyl ester Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4=C(C=CC(=C4)C(=O)OC)Cl)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4=C(C=CC(=C4)C(=O)OC)Cl)C

InChI

InChI=1S/C21H26ClNO3/c1-19-7-13-8-20(2,10-19)12-21(9-13,11-19)18(25)23-16-6-14(17(24)26-3)4-5-15(16)22/h4-6,13H,7-12H2,1-3H3,(H,23,25)