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

Systemtic Name: [4-[2-[5-[(2-methylphenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[2-[5-(2-methylanilino)-5-oxo-pentanoyl]oxyacetyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[2-[5-(2-methylanilino)-1,5-dioxopentoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-(2-methylanilino)-5-oxopentanoyl]oxyacetyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[2-[5-keto-5-(o-toluidino)pentanoyl]oxyacetyl]phenyl] ester Formula: C27H24BrNO6 MolecularWeight: 538.38656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C27H24BrNO6/c1-18-5-2-3-6-23(18)29-25(31)7-4-8-26(32)34-17-24(30)19-11-15-22(16-12-19)35-27(33)20-9-13-21(28)14-10-20/h2-3,5-6,9-16H,4,7-8,17H2,1H3,(H,29,31)