(2-azanyl-2-oxidanylidene-ethyl) 3-(3,4-dimethylphenyl)adamantane-1-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 3-(3,4-dimethylphenyl)adamantane-1-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-adamantanecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C21H27NO3 MolecularWeight: 341.44398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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