methyl 3-[2-[3-[(1S,3S)-3-acetyloxycyclohexyl]prop-1-ynyl]phenyl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[2-[3-[(1S,3S)-3-acetyloxycyclohexyl]prop-1-ynyl]phenyl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[2-[3-[(1S,3S)-3-acetoxycyclohexyl]prop-1-ynyl]phenyl]-3-oxo-propanoate CAS Name: 3-[2-[3-[(1S,3S)-3-acetyloxycyclohexyl]prop-1-ynyl]phenyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(1S,3S)-3-acetyloxycyclohexyl]prop-1-ynyl]phenyl]-3-oxopropanoate Traditional Name: 3-[2-[3-[(1S,3S)-3-acetoxycyclohexyl]prop-1-ynyl]phenyl]-3-keto-propionic acid methyl ester Formula: C21H24O5 MolecularWeight: 356.41226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCC(C1)CC#CC2=CC=CC=C2C(=O)CC(=O)OC

Isomeric SMILES

CC(=O)O[C@H]1CCC[C@H](C1)CC#CC2=CC=CC=C2C(=O)CC(=O)OC

InChI

InChI=1S/C21H24O5/c1-15(22)26-18-11-6-8-16(13-18)7-5-10-17-9-3-4-12-19(17)20(23)14-21(24)25-2/h3-4,9,12,16,18H,6-8,11,13-14H2,1-2H3/t16-,18+/m1/s1