N-[4-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-3-cyano-phenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[4-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-3-cyano-phenyl]-3,3-dimethyl-butanamide Openeye Name: N-[3-cyano-4-[2-hydroxy-3-(sec-butylamino)propoxy]phenyl]-3,3-dimethyl-butanamide CAS Name: N-[4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-3-cyanophenyl]-3,3-dimethylbutanamide IUPAC Name: N-[4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-3-cyanophenyl]-3,3-dimethylbutanamide Traditional Name: N-[3-cyano-4-[2-hydroxy-3-(sec-butylamino)propoxy]phenyl]-3,3-dimethyl-butyramide Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC(COC1=C(C=C(C=C1)NC(=O)CC(C)(C)C)C#N)O

Isomeric SMILES

CCC(C)NCC(COC1=C(C=C(C=C1)NC(=O)CC(C)(C)C)C#N)O

InChI

InChI=1S/C20H31N3O3/c1-6-14(2)22-12-17(24)13-26-18-8-7-16(9-15(18)11-21)23-19(25)10-20(3,4)5/h7-9,14,17,22,24H,6,10,12-13H2,1-5H3,(H,23,25)