[1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C23H30BrNO4 MolecularWeight: 464.3926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrNO4/c1-15(21(27)25-13-16-3-5-19(28-2)6-4-16)29-20(26)12-22-8-17-7-18(9-22)11-23(24,10-17)14-22/h3-6,15,17-18H,7-14H2,1-2H3,(H,25,27)