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

Systemtic Name: [4-[2-[4-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] 4-methylbenzoate Openeye Name: [4-[2-[4-(4-bromo-2-methyl-anilino)-4-oxo-butanoyl]oxyacetyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-[4-(4-bromo-2-methylanilino)-1,4-dioxobutoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[4-(4-bromo-2-methylanilino)-4-oxobutanoyl]oxyacetyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-[4-(4-bromo-2-methyl-anilino)-4-keto-butanoyl]oxyacetyl]phenyl] ester Formula: C27H24BrNO6 MolecularWeight: 538.38656

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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)CCC(=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)CCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C27H24BrNO6/c1-17-3-5-20(6-4-17)27(33)35-22-10-7-19(8-11-22)24(30)16-34-26(32)14-13-25(31)29-23-12-9-21(28)15-18(23)2/h3-12,15H,13-14,16H2,1-2H3,(H,29,31)