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

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C21H27ClN2O3 MolecularWeight: 390.90368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O3/c1-24(2)17-5-3-16(4-6-17)23-18(25)12-27-19(26)20-8-14-7-15(9-20)11-21(22,10-14)13-20/h3-6,14-15H,7-13H2,1-2H3,(H,23,25)/t14-,15+,20?,21?