(1S,2R,3S)-3-azanyl-1-cyclohexyl-2-[(phenylmethyl)amino]heptan-1-ol

Systemtic Name: (1S,2R,3S)-3-azanyl-1-cyclohexyl-2-[(phenylmethyl)amino]heptan-1-ol Openeye Name: (1S,2R,3S)-3-amino-2-(benzylamino)-1-cyclohexyl-heptan-1-ol CAS Name: (1S,2R,3S)-3-amino-1-cyclohexyl-2-[(phenylmethyl)amino]-1-heptanol IUPAC Name: (1S,2R,3S)-3-amino-2-(benzylamino)-1-cyclohexylheptan-1-ol Traditional Name: (1S,2R,3S)-3-amino-2-(benzylamino)-1-cyclohexyl-heptan-1-ol Formula: C20H34N2O MolecularWeight: 318.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(C1CCCCC1)O)NCC2=CC=CC=C2)N

Isomeric SMILES

CCCC[C@@H]([C@H]([C@H](C1CCCCC1)O)NCC2=CC=CC=C2)N

InChI

InChI=1S/C20H34N2O/c1-2-3-14-18(21)19(20(23)17-12-8-5-9-13-17)22-15-16-10-6-4-7-11-16/h4,6-7,10-11,17-20,22-23H,2-3,5,8-9,12-15,21H2,1H3/t18-,19+,20-/m0/s1