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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H26BrNO3/c1-2-23(17-6-4-3-5-7-17)18(24)13-26-19(25)20-9-15-8-16(10-20)12-21(22,11-15)14-20/h3-7,15-16H,2,8-14H2,1H3/t15-,16+,20?,21?