[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C22H28BrNO4 MolecularWeight: 450.36602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C22H28BrNO4/c1-2-27-18-5-3-17(4-6-18)24-19(25)13-28-20(26)12-21-8-15-7-16(9-21)11-22(23,10-15)14-21/h3-6,15-16H,2,7-14H2,1H3,(H,24,25)