(2S,3S)-N1-cyclohexyl-2-methoxy-4-phenyl-N3,N3-bis(phenylmethyl)butane-1,3-diamine

Systemtic Name: (2S,3S)-N1-cyclohexyl-2-methoxy-4-phenyl-N3,N3-bis(phenylmethyl)butane-1,3-diamine Openeye Name: (2S,3S)-N3,N3-dibenzyl-N1-cyclohexyl-2-methoxy-4-phenyl-butane-1,3-diamine CAS Name: (2S,3S)-N1-cyclohexyl-2-methoxy-4-phenyl-N3,N3-bis(phenylmethyl)butane-1,3-diamine IUPAC Name: (2S,3S)-3-N,3-N-dibenzyl-1-N-cyclohexyl-2-methoxy-4-phenylbutane-1,3-diamine Traditional Name: dibenzyl-[(1S,2S)-1-benzyl-3-(cyclohexylamino)-2-methoxy-propyl]amine Formula: C31H40N2O MolecularWeight: 456.6621

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC1CCCCC1)C(CC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CO[C@@H](CNC1CCCCC1)[C@H](CC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C31H40N2O/c1-34-31(23-32-29-20-12-5-13-21-29)30(22-26-14-6-2-7-15-26)33(24-27-16-8-3-9-17-27)25-28-18-10-4-11-19-28/h2-4,6-11,14-19,29-32H,5,12-13,20-25H2,1H3/t30-,31-/m0/s1