tert-butyl (4S,5S)-5-[bis(phenylmethyl)amino]-2-methyl-4-oxidanyl-hexanoate

Systemtic Name: tert-butyl (4S,5S)-5-[bis(phenylmethyl)amino]-2-methyl-4-oxidanyl-hexanoate Openeye Name: tert-butyl (4S,5S)-5-(dibenzylamino)-4-hydroxy-2-methyl-hexanoate CAS Name: (4S,5S)-5-[bis(phenylmethyl)amino]-4-hydroxy-2-methylhexanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S,5S)-5-(dibenzylamino)-4-hydroxy-2-methylhexanoate Traditional Name: (4S,5S)-5-(dibenzylamino)-4-hydroxy-2-methyl-hexanoic acid tert-butyl ester Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(C)N(CC1=CC=CC=C1)CC2=CC=CC=C2)O)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO3/c1-19(24(28)29-25(3,4)5)16-23(27)20(2)26(17-21-12-8-6-9-13-21)18-22-14-10-7-11-15-22/h6-15,19-20,23,27H,16-18H2,1-5H3/t19?,20-,23-/m0/s1