[2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] (5S,7S)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] (5S,7S)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-[(4-methoxy-4-oxo-butyl)amino]-2-oxo-ethyl] (5S,7S)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7S)-3-bromo-1-adamantanecarboxylic acid [2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] (5S,7S)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7S)-3-bromoadamantane-1-carboxylic acid [2-keto-2-[(4-keto-4-methoxy-butyl)amino]ethyl] ester Formula: C18H26BrNO5 MolecularWeight: 416.30674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)Br

Isomeric SMILES

COC(=O)CCCNC(=O)COC(=O)C12C[C@@H]3C[C@@H](C1)CC(C3)(C2)Br

InChI

InChI=1S/C18H26BrNO5/c1-24-15(22)3-2-4-20-14(21)10-25-16(23)17-6-12-5-13(7-17)9-18(19,8-12)11-17/h12-13H,2-11H2,1H3,(H,20,21)/t12-,13-,17?,18?/m0/s1