(2,5-dimethylphenyl)methyl 3-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: (2,5-dimethylphenyl)methyl 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: (2,5-dimethylphenyl)methyl 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(4-bromobenzoyl)amino]propionic acid (2,5-dimethylbenzyl) ester Formula: C19H20BrNO3 MolecularWeight: 390.271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)CCNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)CCNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H20BrNO3/c1-13-3-4-14(2)16(11-13)12-24-18(22)9-10-21-19(23)15-5-7-17(20)8-6-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)