2-azanyl-3-(3,3-dimethylbutanoyl)-6-[3-(2-methylpropylamino)-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-(3,3-dimethylbutanoyl)-6-[3-(2-methylpropylamino)-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 2-amino-3-(3,3-dimethylbutanoyl)-6-[2-hydroxy-3-(isobutylamino)propoxy]benzonitrile CAS Name: 2-amino-3-(3,3-dimethyl-1-oxobutyl)-6-[2-hydroxy-3-(2-methylpropylamino)propoxy]benzonitrile IUPAC Name: 2-amino-3-(3,3-dimethylbutanoyl)-6-[2-hydroxy-3-(2-methylpropylamino)propoxy]benzonitrile Traditional Name: 2-amino-3-(3,3-dimethylbutanoyl)-6-[2-hydroxy-3-(isobutylamino)propoxy]benzonitrile Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3/c1-13(2)10-23-11-14(24)12-26-18-7-6-15(19(22)16(18)9-21)17(25)8-20(3,4)5/h6-7,13-14,23-24H,8,10-12,22H2,1-5H3