ethyl 3-[2-(3-bromophenyl)ethanoylamino]-2-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: ethyl 3-[2-(3-bromophenyl)ethanoylamino]-2-(3,4-dimethoxyphenyl)propanoate Openeye Name: ethyl 3-[[2-(3-bromophenyl)acetyl]amino]-2-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[2-(3-bromophenyl)-1-oxoethyl]amino]-2-(3,4-dimethoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-bromophenyl)acetyl]amino]-2-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[[2-(3-bromophenyl)acetyl]amino]-2-(3,4-dimethoxyphenyl)propionic acid ethyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)CC1=CC(=CC=C1)Br)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C(CNC(=O)CC1=CC(=CC=C1)Br)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H24BrNO5/c1-4-28-21(25)17(15-8-9-18(26-2)19(12-15)27-3)13-23-20(24)11-14-6-5-7-16(22)10-14/h5-10,12,17H,4,11,13H2,1-3H3,(H,23,24)