[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (2R)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] (2R)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] (2R)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2R)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2R)-2-(2-furoylamino)-3-phenyl-propionic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C22H18BrNO5 MolecularWeight: 456.28602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)C2=CC=C(C=C2)Br)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)OCC(=O)C2=CC=C(C=C2)Br)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H18BrNO5/c23-17-10-8-16(9-11-17)19(25)14-29-22(27)18(13-15-5-2-1-3-6-15)24-21(26)20-7-4-12-28-20/h1-12,18H,13-14H2,(H,24,26)/t18-/m1/s1