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

Systemtic Name: N-[4-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-3-cyano-phenyl]-2-ethyl-butanamide hydrochloride Openeye Name: N-[3-cyano-4-[2-hydroxy-3-(sec-butylamino)propoxy]phenyl]-2-ethyl-butanamide hydrochloride CAS Name: N-[4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-3-cyanophenyl]-2-ethylbutanamide hydrochloride IUPAC Name: N-[4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-3-cyanophenyl]-2-ethylbutanamide hydrochloride Traditional Name: N-[3-cyano-4-[2-hydroxy-3-(sec-butylamino)propoxy]phenyl]-2-ethyl-butyramide hydrochloride Formula: C20H32ClN3O3 MolecularWeight: 397.93938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3.ClH/c1-5-14(4)22-12-18(24)13-26-19-9-8-17(10-16(19)11-21)23-20(25)15(6-2)7-3;/h8-10,14-15,18,22,24H,5-7,12-13H2,1-4H3,(H,23,25);1H