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

Systemtic Name: (phenylmethyl) 6-azido-2-[bis(phenylmethyl)amino]-3-oxidanyl-hexanoate Openeye Name: benzyl 6-azido-2-(dibenzylamino)-3-hydroxy-hexanoate CAS Name: 6-azido-2-[bis(phenylmethyl)amino]-3-hydroxyhexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-azido-2-(dibenzylamino)-3-hydroxyhexanoate Traditional Name: 6-azido-2-(dibenzylamino)-3-hydroxy-hexanoic acid benzyl ester Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O3/c28-30-29-18-10-17-25(32)26(27(33)34-21-24-15-8-3-9-16-24)31(19-22-11-4-1-5-12-22)20-23-13-6-2-7-14-23/h1-9,11-16,25-26,32H,10,17-21H2