4-[3-[[(2S)-3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]amino]-2-methyl-butyl]-3-methyl-benzenecarbonitrile

Systemtic Name: 4-[3-[[(2S)-3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]amino]-2-methyl-butyl]-3-methyl-benzenecarbonitrile Openeye Name: 4-[3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxy-propyl]amino]-2-methyl-butyl]-3-methyl-benzonitrile CAS Name: 4-[3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]amino]-2-methylbutyl]-3-methylbenzonitrile IUPAC Name: 4-[3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]amino]-2-methylbutyl]-3-methylbenzonitrile Traditional Name: 4-[3-[[(2S)-3-(2-fluorophenoxy)-2-hydroxy-propyl]amino]-2-methyl-butyl]-3-methyl-benzonitrile Formula: C22H27FN2O2 MolecularWeight: 370.460383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)CC(C)C(C)NCC(COC2=CC=CC=C2F)O

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)CC(C)C(C)NC[C@@H](COC2=CC=CC=C2F)O

InChI

InChI=1S/C22H27FN2O2/c1-15(11-19-9-8-18(12-24)10-16(19)2)17(3)25-13-20(26)14-27-22-7-5-4-6-21(22)23/h4-10,15,17,20,25-26H,11,13-14H2,1-3H3/t15?,17?,20-/m0/s1