[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [2-keto-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C23H30BrNO3 MolecularWeight: 448.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C[C@@H](CCC1=CC=CC=C1)NC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C23H30BrNO3/c1-16(7-8-17-5-3-2-4-6-17)25-20(26)14-28-21(27)22-10-18-9-19(11-22)13-23(24,12-18)15-22/h2-6,16,18-19H,7-15H2,1H3,(H,25,26)/t16-,18-,19+,22?,23?/m0/s1