methyl (2R,3S)-3-[6-[(4-methoxyphenyl)methoxy]hex-2-ynyl]oxirane-2-carboxylate

Systemtic Name: methyl (2R,3S)-3-[6-[(4-methoxyphenyl)methoxy]hex-2-ynyl]oxirane-2-carboxylate Openeye Name: methyl (2R,3S)-3-[6-[(4-methoxyphenyl)methoxy]hex-2-ynyl]oxirane-2-carboxylate CAS Name: (2R,3S)-3-[6-[(4-methoxyphenyl)methoxy]hex-2-ynyl]-2-oxiranecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S)-3-[6-[(4-methoxyphenyl)methoxy]hex-2-ynyl]oxirane-2-carboxylate Traditional Name: (2R,3S)-3-(6-p-anisyloxyhex-2-ynyl)oxirane-2-carboxylic acid methyl ester Formula: C18H22O5 MolecularWeight: 318.36428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COCCCC#CCC2C(O2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)COCCCC#CC[C@H]2[C@@H](O2)C(=O)OC

InChI

InChI=1S/C18H22O5/c1-20-15-10-8-14(9-11-15)13-22-12-6-4-3-5-7-16-17(23-16)18(19)21-2/h8-11,16-17H,4,6-7,12-13H2,1-2H3/t16-,17+/m0/s1