[1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-[4-(dimethylamino)anilino]-1-methyl-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-[4-(dimethylamino)anilino]-2-keto-1-methyl-ethyl] ester Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C24H33N3O4/c1-15(21(29)25-19-5-7-20(8-6-19)27(3)4)31-22(30)23-10-17-9-18(11-23)13-24(12-17,14-23)26-16(2)28/h5-8,15,17-18H,9-14H2,1-4H3,(H,25,29)(H,26,28)