[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-benzamido-3-phenyl-propanoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-benzamido-3-phenyl-propanoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 3-benzamido-3-phenyl-propanoate CAS Name: 3-benzamido-3-phenylpropanoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 3-benzamido-3-phenylpropanoate Traditional Name: 3-benzamido-3-phenyl-propionic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C25H22BrNO5 MolecularWeight: 496.34988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C25H22BrNO5/c1-31-23-13-12-19(14-20(23)26)22(28)16-32-24(29)15-21(17-8-4-2-5-9-17)27-25(30)18-10-6-3-7-11-18/h2-14,21H,15-16H2,1H3,(H,27,30)