[(Z,7R)-18-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-18-oxidanylidene-octadec-9-en-7-yl] benzoate

Systemtic Name: [(Z,7R)-18-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-18-oxidanylidene-octadec-9-en-7-yl] benzoate Openeye Name: [(Z,1R)-1-hexyl-12-[(4-hydroxy-3-methoxy-phenyl)methylamino]-12-oxo-dodec-3-enyl] benzoate CAS Name: benzoic acid [(Z,7R)-18-[(4-hydroxy-3-methoxyphenyl)methylamino]-18-oxooctadec-9-en-7-yl] ester IUPAC Name: [(Z,7R)-18-[(4-hydroxy-3-methoxyphenyl)methylamino]-18-oxooctadec-9-en-7-yl] benzoate Traditional Name: benzoic acid [(Z,1R)-1-hexyl-12-keto-12-(vanillylamino)dodec-3-enyl] ester Formula: C33H47NO5 MolecularWeight: 537.72998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC[C@H](C/C=C\CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C33H47NO5/c1-3-4-5-15-20-29(39-33(37)28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-32(36)34-26-27-23-24-30(35)31(25-27)38-2/h10,12-14,16,18-19,23-25,29,35H,3-9,11,15,17,20-22,26H2,1-2H3,(H,34,36)/b16-10-/t29-/m1/s1