(2R,3S,4S)-3-[bis(phenylmethyl)amino]-4-methyl-1-nitro-hexan-2-ol

Systemtic Name: (2R,3S,4S)-3-[bis(phenylmethyl)amino]-4-methyl-1-nitro-hexan-2-ol Openeye Name: (2R,3S,4S)-3-(dibenzylamino)-4-methyl-1-nitro-hexan-2-ol CAS Name: (2R,3S,4S)-3-[bis(phenylmethyl)amino]-4-methyl-1-nitro-2-hexanol IUPAC Name: (2R,3S,4S)-3-(dibenzylamino)-4-methyl-1-nitrohexan-2-ol Traditional Name: (2R,3S,4S)-3-(dibenzylamino)-4-methyl-1-nitro-hexan-2-ol Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(C[N+](=O)[O-])O)N(CC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-3-17(2)21(20(24)16-23(25)26)22(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13,17,20-21,24H,3,14-16H2,1-2H3/t17-,20+,21-/m0/s1