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

Systemtic Name: pyridin-4-ylmethyl N-[(E,2S,3R)-2-(2,2-dimethylpropanoylamino)-3-oxidanyl-octadec-4-enyl]carbamate Openeye Name: 4-pyridylmethyl N-[(E,2S,3R)-2-(2,2-dimethylpropanoylamino)-3-hydroxy-octadec-4-enyl]carbamate CAS Name: N-[(E,2S,3R)-2-[(2,2-dimethyl-1-oxopropyl)amino]-3-hydroxyoctadec-4-enyl]carbamic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl N-[(E,2S,3R)-2-(2,2-dimethylpropanoylamino)-3-hydroxyoctadec-4-enyl]carbamate Traditional Name: N-[(E,2S,3R)-3-hydroxy-2-(pivaloylamino)octadec-4-enyl]carbamic acid 4-pyridylmethyl ester Formula: C30H51N3O4 MolecularWeight: 517.74364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CNC(=O)OCC1=CC=NC=C1)NC(=O)C(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CNC(=O)OCC1=CC=NC=C1)NC(=O)C(C)(C)C)O

InChI

InChI=1S/C30H51N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(34)26(33-28(35)30(2,3)4)23-32-29(36)37-24-25-19-21-31-22-20-25/h17-22,26-27,34H,5-16,23-24H2,1-4H3,(H,32,36)(H,33,35)/b18-17+/t26-,27+/m0/s1