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tert-butyl (E)-2-oxidanyl-3-[(phenylmethyl)amino]octadec-4-enoate

tert-butyl (E)-2-oxidanyl-3-[(phenylmethyl)amino]octadec-4-enoate

Systemtic Name:tert-butyl (E)-2-oxidanyl-3-[(phenylmethyl)amino]octadec-4-enoate
Openeye Name:tert-butyl (E)-3-(benzylamino)-2-hydroxy-octadec-4-enoate
CAS Name:(E)-2-hydroxy-3-[(phenylmethyl)amino]-4-octadecenoic acid tert-butyl ester
IUPAC Name:tert-butyl (E)-3-(benzylamino)-2-hydroxyoctadec-4-enoate
Traditional Name:(E)-3-(benzylamino)-2-hydroxy-octadec-4-enoic acid tert-butyl ester
Formula: C29H49NO3
MolecularWeight: 459.70426
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(C(=O)OC(C)(C)C)O)NCC1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(C(=O)OC(C)(C)C)O)NCC1=CC=CC=C1


InChI

InChI=1S/C29H49NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(27(31)28(32)33-29(2,3)4)30-24-25-21-18-17-19-22-25/h17-23,26-27,30-31H,5-16,24H2,1-4H3/b23-20+


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