methyl (E,2S)-5-methyl-5-oxidanyl-2-(phenylmethoxycarbonylamino)dodec-3-enoate

Systemtic Name: methyl (E,2S)-5-methyl-5-oxidanyl-2-(phenylmethoxycarbonylamino)dodec-3-enoate Openeye Name: methyl (E,2S)-2-(benzyloxycarbonylamino)-5-hydroxy-5-methyl-dodec-3-enoate CAS Name: (E,2S)-5-hydroxy-5-methyl-2-(phenylmethoxycarbonylamino)-3-dodecenoic acid methyl ester IUPAC Name: methyl (E,2S)-5-hydroxy-5-methyl-2-(phenylmethoxycarbonylamino)dodec-3-enoate Traditional Name: (E,2S)-2-(benzyloxycarbonylamino)-5-hydroxy-5-methyl-dodec-3-enoic acid methyl ester Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)(C=CC(C(=O)OC)NC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCC(C)(/C=C/[C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C22H33NO5/c1-4-5-6-7-11-15-22(2,26)16-14-19(20(24)27-3)23-21(25)28-17-18-12-9-8-10-13-18/h8-10,12-14,16,19,26H,4-7,11,15,17H2,1-3H3,(H,23,25)/b16-14+/t19-,22?/m0/s1