4-[(2R)-3-[[(2S)-butan-2-yl]-butyl-amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2R)-3-[[(2S)-butan-2-yl]-butyl-amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-3-[butyl-[(1S)-1-methylpropyl]amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2R)-3-[[(2S)-butan-2-yl]-butylamino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2R)-3-[[(2S)-butan-2-yl]-butylamino]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2R)-3-[butyl-[(1S)-1-methylpropyl]amino]-2-hydroxy-propoxy]benzonitrile Formula: C18H28N2O2 MolecularWeight: 304.42712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(COC1=CC=C(C=C1)C#N)O)C(C)CC

Isomeric SMILES

CCCCN(C[C@H](COC1=CC=C(C=C1)C#N)O)[C@@H](C)CC

InChI

InChI=1S/C18H28N2O2/c1-4-6-11-20(15(3)5-2)13-17(21)14-22-18-9-7-16(12-19)8-10-18/h7-10,15,17,21H,4-6,11,13-14H2,1-3H3/t15-,17+/m0/s1