methyl (2S,3S)-2-benzamido-3-(3-chloranyl-4-phenylmethoxy-phenyl)-3-oxidanyl-propanoate

Systemtic Name: methyl (2S,3S)-2-benzamido-3-(3-chloranyl-4-phenylmethoxy-phenyl)-3-oxidanyl-propanoate Openeye Name: methyl (2S,3S)-2-benzamido-3-(4-benzyloxy-3-chloro-phenyl)-3-hydroxy-propanoate CAS Name: (2S,3S)-2-benzamido-3-(3-chloro-4-phenylmethoxyphenyl)-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-benzamido-3-(3-chloro-4-phenylmethoxyphenyl)-3-hydroxypropanoate Traditional Name: (2S,3S)-2-benzamido-3-(4-benzoxy-3-chloro-phenyl)-3-hydroxy-propionic acid methyl ester Formula: C24H22ClNO5 MolecularWeight: 439.88818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC(=C(C=C1)OCC2=CC=CC=C2)Cl)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]([C@H](C1=CC(=C(C=C1)OCC2=CC=CC=C2)Cl)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H22ClNO5/c1-30-24(29)21(26-23(28)17-10-6-3-7-11-17)22(27)18-12-13-20(19(25)14-18)31-15-16-8-4-2-5-9-16/h2-14,21-22,27H,15H2,1H3,(H,26,28)/t21-,22-/m0/s1