methyl (2S)-1-[(E,2R)-2,4-dimethyl-3-oxidanyl-dodec-4-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(E,2R)-2,4-dimethyl-3-oxidanyl-dodec-4-enoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(E,2R)-3-hydroxy-2,4-dimethyl-dodec-4-enoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(E,2R)-3-hydroxy-2,4-dimethyl-1-oxododec-4-enyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(E,2R)-3-hydroxy-2,4-dimethyldodec-4-enoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(E,2R)-3-hydroxy-2,4-dimethyl-dodec-4-enoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C20H35NO4 MolecularWeight: 353.4962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=C(C)C(C(C)C(=O)N1CCCC1C(=O)OC)O

Isomeric SMILES

CCCCCCC/C=C(\C)/C([C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC)O

InChI

InChI=1S/C20H35NO4/c1-5-6-7-8-9-10-12-15(2)18(22)16(3)19(23)21-14-11-13-17(21)20(24)25-4/h12,16-18,22H,5-11,13-14H2,1-4H3/b15-12+/t16-,17+,18?/m1/s1