butan-1-amine; N-[3-cyano-4-(3-oxidanylpropoxy)phenyl]-2-methyl-propanamide

Systemtic Name: butan-1-amine; N-[3-cyano-4-(3-oxidanylpropoxy)phenyl]-2-methyl-propanamide Openeye Name: butan-1-amine; N-[3-cyano-4-(3-hydroxypropoxy)phenyl]-2-methyl-propanamide CAS Name: 1-butanamine; N-[3-cyano-4-(3-hydroxypropoxy)phenyl]-2-methylpropanamide IUPAC Name: butan-1-amine; N-[3-cyano-4-(3-hydroxypropoxy)phenyl]-2-methylpropanamide Traditional Name: butylamine; N-[3-cyano-4-(3-hydroxypropoxy)phenyl]-2-methyl-propionamide Formula: C18H29N3O3 MolecularWeight: 335.44116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.CC(C)C(=O)NC1=CC(=C(C=C1)OCCCO)C#N

Isomeric SMILES

CCCCN.CC(C)C(=O)NC1=CC(=C(C=C1)OCCCO)C#N

InChI

InChI=1S/C14H18N2O3.C4H11N/c1-10(2)14(18)16-12-4-5-13(11(8-12)9-15)19-7-3-6-17;1-2-3-4-5/h4-5,8,10,17H,3,6-7H2,1-2H3,(H,16,18);2-5H2,1H3