N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-8-[(1S,2R)-2-octylcyclopropyl]octanamide

Systemtic Name: N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-8-[(1S,2R)-2-octylcyclopropyl]octanamide Openeye Name: N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-[(1S,2R)-2-octylcyclopropyl]octanamide CAS Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-[(1S,2R)-2-octylcyclopropyl]octanamide IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-[(1S,2R)-2-octylcyclopropyl]octanamide Traditional Name: 8-[(1S,2R)-2-octylcyclopropyl]-N-vanillyl-caprylamide Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CC1CCCCCCCC(=O)NCC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)NCC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C27H45NO3/c1-3-4-5-6-8-11-14-23-20-24(23)15-12-9-7-10-13-16-27(30)28-21-22-17-18-25(29)26(19-22)31-2/h17-19,23-24,29H,3-16,20-21H2,1-2H3,(H,28,30)/t23-,24+/m1/s1