[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-(2-ethylanilino)-2-oxo-ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-(2-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylanilino)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [2-(2-ethylanilino)-2-keto-ethyl] ester Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H26BrNO3/c1-2-16-5-3-4-6-17(16)23-18(24)12-26-19(25)20-8-14-7-15(9-20)11-21(22,10-14)13-20/h3-6,14-15H,2,7-13H2,1H3,(H,23,24)/t14-,15+,20?,21?