[1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 3-bromanyladamantane-1-carboxylate Openeye Name: 1-(benzylcarbamoyl)propyl 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxobutan-2-yl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid 1-(benzylcarbamoyl)propyl ester Formula: C22H28BrNO3 MolecularWeight: 434.36662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C22H28BrNO3/c1-2-18(19(25)24-13-15-6-4-3-5-7-15)27-20(26)21-9-16-8-17(10-21)12-22(23,11-16)14-21/h3-7,16-18H,2,8-14H2,1H3,(H,24,25)