[(Z,6R)-17-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-17-oxidanylidene-heptadec-8-en-6-yl] ethanoate

Systemtic Name: [(Z,6R)-17-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-17-oxidanylidene-heptadec-8-en-6-yl] ethanoate Openeye Name: [(Z,1R)-12-[(4-hydroxy-3-methoxy-phenyl)methylamino]-12-oxo-1-pentyl-dodec-3-enyl] acetate CAS Name: acetic acid [(Z,6R)-17-[(4-hydroxy-3-methoxyphenyl)methylamino]-17-oxoheptadec-8-en-6-yl] ester IUPAC Name: [(Z,6R)-17-[(4-hydroxy-3-methoxyphenyl)methylamino]-17-oxoheptadec-8-en-6-yl] acetate Traditional Name: acetic acid [(Z,1R)-1-amyl-12-keto-12-(vanillylamino)dodec-3-enyl] ester Formula: C27H43NO5 MolecularWeight: 461.63402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC=CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC)OC(=O)C

Isomeric SMILES

CCCCC[C@H](C/C=C\CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC)OC(=O)C

InChI

InChI=1S/C27H43NO5/c1-4-5-12-15-24(33-22(2)29)16-13-10-8-6-7-9-11-14-17-27(31)28-21-23-18-19-25(30)26(20-23)32-3/h10,13,18-20,24,30H,4-9,11-12,14-17,21H2,1-3H3,(H,28,31)/b13-10-/t24-/m1/s1