[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H24BrNO6 MolecularWeight: 466.32236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H24BrNO6/c1-13(21(25)23-16-8-6-15(22)7-9-16)29-19(24)10-5-14-11-17(26-2)20(28-4)18(12-14)27-3/h6-9,11-13H,5,10H2,1-4H3,(H,23,25)