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

Systemtic Name: methyl 4-[(3,5-dimethyl-1-adamantyl)carbonylamino]benzoate Openeye Name: methyl 4-[(3,5-dimethyladamantane-1-carbonyl)amino]benzoate CAS Name: 4-[[(3,5-dimethyl-1-adamantyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,5-dimethyladamantane-1-carbonyl)amino]benzoate Traditional Name: 4-[(3,5-dimethyladamantane-1-carbonyl)amino]benzoic acid methyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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