[2-[(4-methoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-keto-2-[(4-methoxyphenyl)carbamoylamino]ethyl] ester Formula: C21H25ClN2O5 MolecularWeight: 420.8866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H25ClN2O5/c1-28-16-4-2-15(3-5-16)23-19(27)24-17(25)11-29-18(26)20-7-13-6-14(8-20)10-21(22,9-13)12-20/h2-5,13-14H,6-12H2,1H3,(H2,23,24,25,27)