methyl (E,2S,3R)-3-methyl-2-[(3S,4R)-4-methyl-5-phenylmethoxy-pent-1-en-3-yl]oxy-hex-4-enoate

Systemtic Name: methyl (E,2S,3R)-3-methyl-2-[(3S,4R)-4-methyl-5-phenylmethoxy-pent-1-en-3-yl]oxy-hex-4-enoate Openeye Name: methyl (E,2S,3R)-2-[(1S)-1-[(1R)-2-benzyloxy-1-methyl-ethyl]allyloxy]-3-methyl-hex-4-enoate CAS Name: (E,2S,3R)-3-methyl-2-[(3S,4R)-4-methyl-5-phenylmethoxypent-1-en-3-yl]oxy-4-hexenoic acid methyl ester IUPAC Name: methyl (E,2S,3R)-3-methyl-2-[(3S,4R)-4-methyl-5-phenylmethoxypent-1-en-3-yl]oxyhex-4-enoate Traditional Name: (E,2S,3R)-2-[(1S)-1-[(1R)-2-benzoxy-1-methyl-ethyl]allyloxy]-3-methyl-hex-4-enoic acid methyl ester Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C)C(C(=O)OC)OC(C=C)C(C)COCC1=CC=CC=C1

Isomeric SMILES

C/C=C/[C@@H](C)[C@@H](C(=O)OC)O[C@@H](C=C)[C@H](C)COCC1=CC=CC=C1

InChI

InChI=1S/C21H30O4/c1-6-11-16(3)20(21(22)23-5)25-19(7-2)17(4)14-24-15-18-12-9-8-10-13-18/h6-13,16-17,19-20H,2,14-15H2,1,3-5H3/b11-6+/t16-,17-,19+,20+/m1/s1