(1-azanyl-1-oxidanylidene-propan-2-yl) 3-(4-methylphenyl)adamantane-1-carboxylate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-(4-methylphenyl)adamantane-1-carboxylate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 3-(p-tolyl)adamantane-1-carboxylate CAS Name: 3-(4-methylphenyl)-1-adamantanecarboxylic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3-(4-methylphenyl)adamantane-1-carboxylate Traditional Name: 3-(p-tolyl)adamantane-1-carboxylic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OC(C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OC(C)C(=O)N

InChI

InChI=1S/C21H27NO3/c1-13-3-5-17(6-4-13)20-8-15-7-16(9-20)11-21(10-15,12-20)19(24)25-14(2)18(22)23/h3-6,14-16H,7-12H2,1-2H3,(H2,22,23)