1-[3,4-bis(oxidanyl)phenyl]-2-(propylamino)butan-1-one

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(propylamino)butan-1-one Openeye Name: 1-(3,4-dihydroxyphenyl)-2-(propylamino)butan-1-one CAS Name: 1-(3,4-dihydroxyphenyl)-2-(propylamino)-1-butanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(propylamino)butan-1-one Traditional Name: 1-(3,4-dihydroxyphenyl)-2-(propylamino)butan-1-one Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(CC)C(=O)C1=CC(=C(C=C1)O)O

Isomeric SMILES

CCCNC(CC)C(=O)C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C13H19NO3/c1-3-7-14-10(4-2)13(17)9-5-6-11(15)12(16)8-9/h5-6,8,10,14-16H,3-4,7H2,1-2H3