[2-[(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-4-phenyl-but-3-yn-2-yl] ethanoate

Systemtic Name: [2-[(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-4-phenyl-but-3-yn-2-yl] ethanoate Openeye Name: [1-[(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-1-methyl-3-phenyl-prop-2-ynyl] acetate CAS Name: acetic acid [2-[(2S,3R)-3-(4-chlorophenyl)-2-oxiranyl]-4-phenylbut-3-yn-2-yl] ester IUPAC Name: [2-[(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-4-phenylbut-3-yn-2-yl] acetate Traditional Name: acetic acid [1-[(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-1-methyl-3-phenyl-prop-2-ynyl] ester Formula: C20H17ClO3 MolecularWeight: 340.80018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(C#CC1=CC=CC=C1)C2C(O2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)OC(C)(C#CC1=CC=CC=C1)[C@@H]2[C@H](O2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClO3/c1-14(22)24-20(2,13-12-15-6-4-3-5-7-15)19-18(23-19)16-8-10-17(21)11-9-16/h3-11,18-19H,1-2H3/t18-,19+,20?/m1/s1