dimethyl (2R)-2-[(1S,2S)-1-acetyloxy-2-phenylmethoxy-hexyl]-3-methylidene-butanedioate

Systemtic Name: dimethyl (2R)-2-[(1S,2S)-1-acetyloxy-2-phenylmethoxy-hexyl]-3-methylidene-butanedioate Openeye Name: dimethyl (2R)-2-[(1S,2S)-1-acetoxy-2-benzyloxy-hexyl]-3-methylene-butanedioate CAS Name: (2R)-2-[(1S,2S)-1-acetyloxy-2-phenylmethoxyhexyl]-3-methylenebutanedioic acid dimethyl ester IUPAC Name: dimethyl (2R)-2-[(1S,2S)-1-acetyloxy-2-phenylmethoxyhexyl]-3-methylidenebutanedioate Traditional Name: (2R)-2-[(1S,2S)-1-acetoxy-2-benzoxy-hexyl]-3-methylene-succinic acid dimethyl ester Formula: C22H30O7 MolecularWeight: 406.4694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(C(=C)C(=O)OC)C(=O)OC)OC(=O)C)OCC1=CC=CC=C1

Isomeric SMILES

CCCC[C@@H]([C@H]([C@@H](C(=C)C(=O)OC)C(=O)OC)OC(=O)C)OCC1=CC=CC=C1

InChI

InChI=1S/C22H30O7/c1-6-7-13-18(28-14-17-11-9-8-10-12-17)20(29-16(3)23)19(22(25)27-5)15(2)21(24)26-4/h8-12,18-20H,2,6-7,13-14H2,1,3-5H3/t18-,19+,20+/m0/s1