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

Systemtic Name: [(E,2S,3R)-2-(2-methylpropanoylamino)-3-oxidanyl-octadec-4-enyl] N-(pyridin-4-ylmethyl)carbamate Openeye Name: [(E,2S,3R)-3-hydroxy-2-(2-methylpropanoylamino)octadec-4-enyl] N-(4-pyridylmethyl)carbamate CAS Name: N-(pyridin-4-ylmethyl)carbamic acid [(E,2S,3R)-3-hydroxy-2-[(2-methyl-1-oxopropyl)amino]octadec-4-enyl] ester IUPAC Name: [(E,2S,3R)-3-hydroxy-2-(2-methylpropanoylamino)octadec-4-enyl] N-(pyridin-4-ylmethyl)carbamate Traditional Name: N-(4-pyridylmethyl)carbamic acid [(E,2S,3R)-3-hydroxy-2-(isobutyrylamino)octadec-4-enyl] ester Formula: C29H49N3O4 MolecularWeight: 503.71706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H49N3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(33)26(32-28(34)24(2)3)23-36-29(35)31-22-25-18-20-30-21-19-25/h16-21,24,26-27,33H,4-15,22-23H2,1-3H3,(H,31,35)(H,32,34)/b17-16+/t26-,27+/m0/s1