[(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-bromanylbenzoate

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-bromanylbenzoate Openeye Name: [(1S)-2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1S)-2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H17BrClNO3 MolecularWeight: 458.73228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)Br)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C22H17BrClNO3/c1-14-7-12-18(13-19(14)24)25-21(26)20(15-5-3-2-4-6-15)28-22(27)16-8-10-17(23)11-9-16/h2-13,20H,1H3,(H,25,26)/t20-/m0/s1