[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H30BrNO5 MolecularWeight: 480.392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrNO5/c1-14(21(27)25-17-4-5-18(28-2)19(7-17)29-3)30-20(26)12-22-8-15-6-16(9-22)11-23(24,10-15)13-22/h4-5,7,14-16H,6,8-13H2,1-3H3,(H,25,27)