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

Systemtic Name: [4-[2-[5-[(4-bromanyl-2-methyl-phenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 4-methylbenzoate Openeye Name: [4-[2-[5-(4-bromo-2-methyl-anilino)-5-oxo-pentanoyl]oxyacetyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-[5-(4-bromo-2-methyl-anilino)-5-keto-pentanoyl]oxyacetyl]phenyl] ester Formula: C28H26BrNO6 MolecularWeight: 552.41314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCCC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C28H26BrNO6/c1-18-6-8-21(9-7-18)28(34)36-23-13-10-20(11-14-23)25(31)17-35-27(33)5-3-4-26(32)30-24-15-12-22(29)16-19(24)2/h6-16H,3-5,17H2,1-2H3,(H,30,32)