methyl (2S)-2-[(1R)-2-oxidanylidenecyclohexyl]-3-[2-(2-phenylethynyl)phenyl]propanoate

Systemtic Name: methyl (2S)-2-[(1R)-2-oxidanylidenecyclohexyl]-3-[2-(2-phenylethynyl)phenyl]propanoate Openeye Name: methyl (2S)-2-[(1R)-2-oxocyclohexyl]-3-[2-(2-phenylethynyl)phenyl]propanoate CAS Name: (2S)-2-[(1R)-2-oxocyclohexyl]-3-[2-(2-phenylethynyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1R)-2-oxocyclohexyl]-3-[2-(2-phenylethynyl)phenyl]propanoate Traditional Name: (2S)-2-[(1R)-2-ketocyclohexyl]-3-[2-(2-phenylethynyl)phenyl]propionic acid methyl ester Formula: C24H24O3 MolecularWeight: 360.44556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1C#CC2=CC=CC=C2)C3CCCCC3=O

Isomeric SMILES

COC(=O)[C@@H](CC1=CC=CC=C1C#CC2=CC=CC=C2)[C@H]3CCCCC3=O

InChI

InChI=1S/C24H24O3/c1-27-24(26)22(21-13-7-8-14-23(21)25)17-20-12-6-5-11-19(20)16-15-18-9-3-2-4-10-18/h2-6,9-12,21-22H,7-8,13-14,17H2,1H3/t21-,22+/m1/s1