2-(4-butoxyphenyl)ethanamine; 2-oxidanyl-N-(3-pentylphenyl)ethanamide

Systemtic Name: 2-(4-butoxyphenyl)ethanamine; 2-oxidanyl-N-(3-pentylphenyl)ethanamide Openeye Name: 2-(4-butoxyphenyl)ethanamine; 2-hydroxy-N-(3-pentylphenyl)acetamide CAS Name: 2-(4-butoxyphenyl)ethanamine; 2-hydroxy-N-(3-pentylphenyl)acetamide IUPAC Name: 2-(4-butoxyphenyl)ethanamine; 2-hydroxy-N-(3-pentylphenyl)acetamide Traditional Name: N-(3-amylphenyl)-2-hydroxy-acetamide; 2-(4-butoxyphenyl)ethylamine Formula: C25H38N2O3 MolecularWeight: 414.58082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC=C1)NC(=O)CO.CCCCOC1=CC=C(C=C1)CCN

Isomeric SMILES

CCCCCC1=CC(=CC=C1)NC(=O)CO.CCCCOC1=CC=C(C=C1)CCN

InChI

InChI=1S/C13H19NO2.C12H19NO/c1-2-3-4-6-11-7-5-8-12(9-11)14-13(16)10-15;1-2-3-10-14-12-6-4-11(5-7-12)8-9-13/h5,7-9,15H,2-4,6,10H2,1H3,(H,14,16);4-7H,2-3,8-10,13H2,1H3