[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate

Systemtic Name: [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate Openeye Name: [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C20H22BrNO3 MolecularWeight: 404.29758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CC(=O)OCC(=O)N[C@H](C)C1=CC=C(C=C1)Br)C2=CC=CC=C2

InChI

InChI=1S/C20H22BrNO3/c1-14(16-6-4-3-5-7-16)12-20(24)25-13-19(23)22-15(2)17-8-10-18(21)11-9-17/h3-11,14-15H,12-13H2,1-2H3,(H,22,23)/t14-,15-/m1/s1