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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

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