[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(dodecanoylamino)benzoate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(dodecanoylamino)benzoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 3-(dodecanoylamino)benzoate CAS Name: 3-(1-oxododecylamino)benzoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-(dodecanoylamino)benzoate Traditional Name: 3-(lauroylamino)benzoic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C28H37BrN2O4 MolecularWeight: 545.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C28H37BrN2O4/c1-3-4-5-6-7-8-9-10-11-15-26(32)30-24-14-12-13-22(19-24)28(34)35-20-27(33)31-25-17-16-23(29)18-21(25)2/h12-14,16-19H,3-11,15,20H2,1-2H3,(H,30,32)(H,31,33)