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

Systemtic Name: [1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C23H28BrNO4/c1-14(26)18-4-3-5-19(7-18)25-21(28)15(2)29-20(27)12-22-8-16-6-17(9-22)11-23(24,10-16)13-22/h3-5,7,15-17H,6,8-13H2,1-2H3,(H,25,28)