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

Systemtic Name: tert-butyl (E,2R,3S)-3-oxidanyl-2-[(phenylmethyl)amino]octadec-4-enoate Openeye Name: tert-butyl (E,2R,3S)-2-(benzylamino)-3-hydroxy-octadec-4-enoate CAS Name: (E,2R,3S)-3-hydroxy-2-[(phenylmethyl)amino]-4-octadecenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,2R,3S)-2-(benzylamino)-3-hydroxyoctadec-4-enoate Traditional Name: (E,2R,3S)-2-(benzylamino)-3-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)NCC1=CC=CC=C1)O

Isomeric SMILES

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

InChI

InChI=1S/C29H49NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(31)27(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+/t26-,27+/m0/s1