3-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenoxy]butane-1,2-diol

Systemtic Name: 3-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenoxy]butane-1,2-diol Openeye Name: 3-[2-[[[(1S)-2-cyclohexyl-1-methyl-ethyl]amino]methyl]phenoxy]butane-1,2-diol CAS Name: 3-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenoxy]butane-1,2-diol IUPAC Name: 3-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenoxy]butane-1,2-diol Traditional Name: 3-[2-[[[(1S)-2-cyclohexyl-1-methyl-ethyl]amino]methyl]phenoxy]butane-1,2-diol Formula: C20H33NO3 MolecularWeight: 335.48092

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CCCCC1)NCC2=CC=CC=C2OC(C)C(CO)O

Isomeric SMILES

C[C@@H](CC1CCCCC1)NCC2=CC=CC=C2OC(C)C(CO)O

InChI

InChI=1S/C20H33NO3/c1-15(12-17-8-4-3-5-9-17)21-13-18-10-6-7-11-20(18)24-16(2)19(23)14-22/h6-7,10-11,15-17,19,21-23H,3-5,8-9,12-14H2,1-2H3/t15-,16?,19?/m0/s1