[(E,3S,4S)-1-(4-methoxyphenyl)-2,4-dimethyl-5-oxidanylidene-hept-1-en-3-yl] ethanoate

Systemtic Name: [(E,3S,4S)-1-(4-methoxyphenyl)-2,4-dimethyl-5-oxidanylidene-hept-1-en-3-yl] ethanoate Openeye Name: [(1S,2S)-1-[(E)-2-(4-methoxyphenyl)-1-methyl-vinyl]-2-methyl-3-oxo-pentyl] acetate CAS Name: acetic acid [(E,3S,4S)-1-(4-methoxyphenyl)-2,4-dimethyl-5-oxohept-1-en-3-yl] ester IUPAC Name: [(E,3S,4S)-1-(4-methoxyphenyl)-2,4-dimethyl-5-oxohept-1-en-3-yl] acetate Traditional Name: acetic acid [(E,1S)-1-[(1S)-2-keto-1-methyl-butyl]-3-(4-methoxyphenyl)-2-methyl-allyl] ester Formula: C18H24O4 MolecularWeight: 304.38076

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)C(C(=CC1=CC=C(C=C1)OC)C)OC(=O)C

Isomeric SMILES

CCC(=O)[C@@H](C)[C@@H](/C(=C/C1=CC=C(C=C1)OC)/C)OC(=O)C

InChI

InChI=1S/C18H24O4/c1-6-17(20)13(3)18(22-14(4)19)12(2)11-15-7-9-16(21-5)10-8-15/h7-11,13,18H,6H2,1-5H3/b12-11+/t13-,18-/m1/s1