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

Systemtic Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] (5S,7S)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl] (5S,7S)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7S)-3-bromo-1-adamantanecarboxylic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] (5S,7S)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7S)-3-bromoadamantane-1-carboxylic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C18H26BrNO3 MolecularWeight: 384.30794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C[C@H](C1CC1)NC(=O)COC(=O)C23C[C@@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C18H26BrNO3/c1-11(14-2-3-14)20-15(21)9-23-16(22)17-5-12-4-13(6-17)8-18(19,7-12)10-17/h11-14H,2-10H2,1H3,(H,20,21)/t11-,12+,13+,17?,18?/m1/s1