[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate

Systemtic Name: [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate Openeye Name: [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxo-ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C19H16BrNO4 MolecularWeight: 402.23864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)COC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C1=CC=CC=C1Br)NC(=O)COC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C19H16BrNO4/c1-12(14-7-3-4-8-15(14)20)21-18(22)11-24-19(23)17-10-13-6-2-5-9-16(13)25-17/h2-10,12H,11H2,1H3,(H,21,22)/t12-/m1/s1