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

Systemtic Name: tert-butyl (E,2R,3S)-3-acetyloxy-2-[(phenylmethyl)amino]octadec-4-enoate Openeye Name: tert-butyl (E,2R,3S)-3-acetoxy-2-(benzylamino)octadec-4-enoate CAS Name: (E,2R,3S)-3-acetyloxy-2-[(phenylmethyl)amino]-4-octadecenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,2R,3S)-3-acetyloxy-2-(benzylamino)octadec-4-enoate Traditional Name: (E,2R,3S)-3-acetoxy-2-(benzylamino)octadec-4-enoic acid tert-butyl ester Formula: C31H51NO4 MolecularWeight: 501.74094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H51NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-24-28(35-26(2)33)29(30(34)36-31(3,4)5)32-25-27-22-19-18-20-23-27/h18-24,28-29,32H,6-17,25H2,1-5H3/b24-21+/t28-,29+/m0/s1