methyl (2S,3S)-5-(4-chlorophenyl)-5-oxidanylidene-2,3-diphenyl-2-phenylmethoxy-pentanoate

Systemtic Name: methyl (2S,3S)-5-(4-chlorophenyl)-5-oxidanylidene-2,3-diphenyl-2-phenylmethoxy-pentanoate Openeye Name: methyl (2S,3S)-2-benzyloxy-5-(4-chlorophenyl)-5-oxo-2,3-diphenyl-pentanoate CAS Name: (2S,3S)-5-(4-chlorophenyl)-5-oxo-2,3-diphenyl-2-phenylmethoxypentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-5-(4-chlorophenyl)-5-oxo-2,3-diphenyl-2-phenylmethoxypentanoate Traditional Name: (2S,3S)-2-benzoxy-5-(4-chlorophenyl)-5-keto-2,3-diphenyl-valeric acid methyl ester Formula: C31H27ClO4 MolecularWeight: 498.99668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)(C(CC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@](C1=CC=CC=C1)([C@@H](CC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H27ClO4/c1-35-30(34)31(26-15-9-4-10-16-26,36-22-23-11-5-2-6-12-23)28(24-13-7-3-8-14-24)21-29(33)25-17-19-27(32)20-18-25/h2-20,28H,21-22H2,1H3/t28-,31+/m0/s1