(phenylmethyl) 6-azido-3-[bis(phenylmethyl)amino]-2-fluoranyl-hexanoate

Systemtic Name: (phenylmethyl) 6-azido-3-[bis(phenylmethyl)amino]-2-fluoranyl-hexanoate Openeye Name: benzyl 6-azido-3-(dibenzylamino)-2-fluoro-hexanoate CAS Name: 6-azido-3-[bis(phenylmethyl)amino]-2-fluorohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-azido-3-(dibenzylamino)-2-fluorohexanoate Traditional Name: 6-azido-3-(dibenzylamino)-2-fluoro-hexanoic acid benzyl ester Formula: C27H29FN4O2 MolecularWeight: 460.543163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(CCCN=[N+]=[N-])C(C(=O)OCC3=CC=CC=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(CCCN=[N+]=[N-])C(C(=O)OCC3=CC=CC=C3)F

InChI

InChI=1S/C27H29FN4O2/c28-26(27(33)34-21-24-15-8-3-9-16-24)25(17-10-18-30-31-29)32(19-22-11-4-1-5-12-22)20-23-13-6-2-7-14-23/h1-9,11-16,25-26H,10,17-21H2