[(1R)-2-oxidanyl-1-phenyl-ethyl] (3S)-3-[chloranyl(phenyl)amino]-3-phenyl-propanoate

Systemtic Name: [(1R)-2-oxidanyl-1-phenyl-ethyl] (3S)-3-[chloranyl(phenyl)amino]-3-phenyl-propanoate Openeye Name: [(1R)-2-hydroxy-1-phenyl-ethyl] (3S)-3-(N-chloroanilino)-3-phenyl-propanoate CAS Name: (3S)-3-(N-chloroanilino)-3-phenylpropanoic acid [(1R)-2-hydroxy-1-phenylethyl] ester IUPAC Name: [(1R)-2-hydroxy-1-phenylethyl] (3S)-3-(N-chloroanilino)-3-phenylpropanoate Traditional Name: (3S)-3-(N-chloroanilino)-3-phenyl-propionic acid [(1R)-2-hydroxy-1-phenyl-ethyl] ester Formula: C23H22ClNO3 MolecularWeight: 395.87868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OC(CO)C2=CC=CC=C2)N(C3=CC=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)O[C@@H](CO)C2=CC=CC=C2)N(C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H22ClNO3/c24-25(20-14-8-3-9-15-20)21(18-10-4-1-5-11-18)16-23(27)28-22(17-26)19-12-6-2-7-13-19/h1-15,21-22,26H,16-17H2/t21-,22-/m0/s1