[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-[[(3,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-[(3,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)C

InChI

InChI=1S/C24H31N3O5/c1-14-4-5-19(6-15(14)2)25-22(31)26-20(29)12-32-21(30)23-8-17-7-18(9-23)11-24(10-17,13-23)27-16(3)28/h4-6,17-18H,7-13H2,1-3H3,(H,27,28)(H2,25,26,29,31)