[(E,2S,3R)-2-azanyl-3-oxidanyl-octadec-4-enyl] N-(pyridin-4-ylmethyl)carbamate

Systemtic Name: [(E,2S,3R)-2-azanyl-3-oxidanyl-octadec-4-enyl] N-(pyridin-4-ylmethyl)carbamate Openeye Name: [(E,2S,3R)-2-amino-3-hydroxy-octadec-4-enyl] N-(4-pyridylmethyl)carbamate CAS Name: N-(pyridin-4-ylmethyl)carbamic acid [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] N-(pyridin-4-ylmethyl)carbamate Traditional Name: N-(4-pyridylmethyl)carbamic acid [(E,2S,3R)-2-amino-3-hydroxy-octadec-4-enyl] ester Formula: C25H43N3O3 MolecularWeight: 433.62722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC(=O)NCC1=CC=NC=C1)N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)NCC1=CC=NC=C1)N)O

InChI

InChI=1S/C25H43N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(29)23(26)21-31-25(30)28-20-22-16-18-27-19-17-22/h14-19,23-24,29H,2-13,20-21,26H2,1H3,(H,28,30)/b15-14+/t23-,24+/m0/s1