methyl 3-[(3-ethanoyl-1-adamantyl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(3-ethanoyl-1-adamantyl)carbonylamino]benzoate Openeye Name: methyl 3-[(3-acetyladamantane-1-carbonyl)amino]benzoate CAS Name: 3-[[(3-acetyl-1-adamantyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-acetyladamantane-1-carbonyl)amino]benzoate Traditional Name: 3-[(3-acetyladamantane-1-carbonyl)amino]benzoic acid methyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C21H25NO4/c1-13(23)20-8-14-6-15(9-20)11-21(10-14,12-20)19(25)22-17-5-3-4-16(7-17)18(24)26-2/h3-5,7,14-15H,6,8-12H2,1-2H3,(H,22,25)