[(2Z,4S,5S)-4-methyl-5-[(1S)-1-phenylethoxy]octa-2,7-dien-3-yl] 2-methylpropanoate

Systemtic Name: [(2Z,4S,5S)-4-methyl-5-[(1S)-1-phenylethoxy]octa-2,7-dien-3-yl] 2-methylpropanoate Openeye Name: [(1Z,2S,3S)-1-ethylidene-2-methyl-3-[(1S)-1-phenylethoxy]hex-5-enyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(2Z,4S,5S)-4-methyl-5-[(1S)-1-phenylethoxy]octa-2,7-dien-3-yl] ester IUPAC Name: [(2Z,4S,5S)-4-methyl-5-[(1S)-1-phenylethoxy]octa-2,7-dien-3-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(1Z,2S,3S)-1-ethylidene-2-methyl-3-[(1S)-1-phenylethoxy]hex-5-enyl] ester Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O3/c1-7-12-20(23-17(6)18-13-10-9-11-14-18)16(5)19(8-2)24-21(22)15(3)4/h7-11,13-17,20H,1,12H2,2-6H3/b19-8-/t16-,17+,20+/m1/s1