[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H28BrNO3 MolecularWeight: 434.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C22H28BrNO3/c1-15(20(26)24-13-16-5-3-2-4-6-16)27-19(25)12-21-8-17-7-18(9-21)11-22(23,10-17)14-21/h2-6,15,17-18H,7-14H2,1H3,(H,24,26)