4-[(2R,3S)-2-azanyl-4-methyl-1-(oxan-2-yloxy)pentan-3-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[(2R,3S)-2-azanyl-4-methyl-1-(oxan-2-yloxy)pentan-3-yl]oxybenzenecarbonitrile Openeye Name: 4-[(1S,2R)-2-amino-1-isopropyl-3-tetrahydropyran-2-yloxy-propoxy]benzonitrile CAS Name: 4-[(2R,3S)-2-amino-4-methyl-1-(2-oxanyloxy)pentan-3-yl]oxybenzonitrile IUPAC Name: 4-[(2R,3S)-2-amino-4-methyl-1-(oxan-2-yloxy)pentan-3-yl]oxybenzonitrile Traditional Name: 4-[(1S,2R)-2-amino-1-isopropyl-3-tetrahydropyran-2-yloxy-propoxy]benzonitrile Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(COC1CCCCO1)N)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)[C@@H]([C@@H](COC1CCCCO1)N)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H26N2O3/c1-13(2)18(23-15-8-6-14(11-19)7-9-15)16(20)12-22-17-5-3-4-10-21-17/h6-9,13,16-18H,3-5,10,12,20H2,1-2H3/t16-,17?,18+/m1/s1