[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl)C

InChI

InChI=1S/C22H27ClN2O4/c1-13-3-4-17(14(2)5-13)24-20(28)25-18(26)11-29-19(27)21-7-15-6-16(8-21)10-22(23,9-15)12-21/h3-5,15-16H,6-12H2,1-2H3,(H2,24,25,26,28)/t15-,16+,21?,22?