[4-[2-[5-[(4-bromanyl-2-methyl-phenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[2-[5-[(4-bromanyl-2-methyl-phenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[2-[5-(4-bromo-2-methyl-anilino)-5-oxo-pentanoyl]oxyacetyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[2-[5-(4-bromo-2-methylanilino)-1,5-dioxopentoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-(4-bromo-2-methylanilino)-5-oxopentanoyl]oxyacetyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[2-[5-(4-bromo-2-methyl-anilino)-5-keto-pentanoyl]oxyacetyl]phenyl] ester Formula: C27H23Br2NO6 MolecularWeight: 617.28262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C27H23Br2NO6/c1-17-15-21(29)11-14-23(17)30-25(32)3-2-4-26(33)35-16-24(31)18-7-12-22(13-8-18)36-27(34)19-5-9-20(28)10-6-19/h5-15H,2-4,16H2,1H3,(H,30,32)