N-[4-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-3-cyano-phenyl]-2-methyl-propanamide

Systemtic Name: N-[4-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-3-cyano-phenyl]-2-methyl-propanamide Openeye Name: N-[3-cyano-4-[2-hydroxy-3-(sec-butylamino)propoxy]phenyl]-2-methyl-propanamide CAS Name: N-[4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-3-cyanophenyl]-2-methylpropanamide IUPAC Name: N-[4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-3-cyanophenyl]-2-methylpropanamide Traditional Name: N-[3-cyano-4-[2-hydroxy-3-(sec-butylamino)propoxy]phenyl]-2-methyl-propionamide Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-5-13(4)20-10-16(22)11-24-17-7-6-15(8-14(17)9-19)21-18(23)12(2)3/h6-8,12-13,16,20,22H,5,10-11H2,1-4H3,(H,21,23)