methyl 4-[(2S)-2-[(2S)-2-phenylbutanoyl]oxybut-3-ynoxy]benzoate

Systemtic Name: methyl 4-[(2S)-2-[(2S)-2-phenylbutanoyl]oxybut-3-ynoxy]benzoate Openeye Name: methyl 4-[(2S)-2-[(2S)-2-phenylbutanoyl]oxybut-3-ynoxy]benzoate CAS Name: 4-[(2S)-2-[(2S)-1-oxo-2-phenylbutoxy]but-3-ynoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-[(2S)-2-phenylbutanoyl]oxybut-3-ynoxy]benzoate Traditional Name: 4-[(2S)-2-[(2S)-2-phenylbutanoyl]oxybut-3-ynoxy]benzoic acid methyl ester Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC(COC2=CC=C(C=C2)C(=O)OC)C#C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)O[C@H](COC2=CC=C(C=C2)C(=O)OC)C#C

InChI

InChI=1S/C22H22O5/c1-4-18(15-26-19-13-11-17(12-14-19)21(23)25-3)27-22(24)20(5-2)16-9-7-6-8-10-16/h1,6-14,18,20H,5,15H2,2-3H3/t18-,20-/m0/s1