[(2S,3S)-3-[bis(phenylmethyl)amino]-5-methyl-2-oxidanyl-hexyl] hexanoate

Systemtic Name: [(2S,3S)-3-[bis(phenylmethyl)amino]-5-methyl-2-oxidanyl-hexyl] hexanoate Openeye Name: [(2S,3S)-3-(dibenzylamino)-2-hydroxy-5-methyl-hexyl] hexanoate CAS Name: hexanoic acid [(2S,3S)-3-[bis(phenylmethyl)amino]-2-hydroxy-5-methylhexyl] ester IUPAC Name: [(2S,3S)-3-(dibenzylamino)-2-hydroxy-5-methylhexyl] hexanoate Traditional Name: hexanoic acid [(2S,3S)-3-(dibenzylamino)-2-hydroxy-5-methyl-hexyl] ester Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(C(CC(C)C)N(CC1=CC=CC=C1)CC2=CC=CC=C2)O

Isomeric SMILES

CCCCCC(=O)OC[C@H]([C@H](CC(C)C)N(CC1=CC=CC=C1)CC2=CC=CC=C2)O

InChI

InChI=1S/C27H39NO3/c1-4-5-8-17-27(30)31-21-26(29)25(18-22(2)3)28(19-23-13-9-6-10-14-23)20-24-15-11-7-12-16-24/h6-7,9-16,22,25-26,29H,4-5,8,17-21H2,1-3H3/t25-,26+/m0/s1