[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-benzamido-3-(3-methoxyphenyl)propanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-benzamido-3-(3-methoxyphenyl)propanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-benzamido-3-(3-methoxyphenyl)propanoate CAS Name: 3-benzamido-3-(3-methoxyphenyl)propanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-benzamido-3-(3-methoxyphenyl)propanoate Traditional Name: 3-benzamido-3-(3-methoxyphenyl)propionic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C25H22BrNO5 MolecularWeight: 496.34988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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