[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-phenylbutanoate

Systemtic Name: [2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-phenylbutanoate Openeye Name: [2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C21H23BrN2O4/c1-3-17(15-7-5-4-6-8-15)21(27)28-13-20(26)23-12-19(25)24-18-10-9-16(22)11-14(18)2/h4-11,17H,3,12-13H2,1-2H3,(H,23,26)(H,24,25)