N-(4-azanylbutyl)-3-[3,4-bis(oxidanyl)phenyl]propanamide

Systemtic Name: N-(4-azanylbutyl)-3-[3,4-bis(oxidanyl)phenyl]propanamide Openeye Name: N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)propanamide CAS Name: N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)propanamide IUPAC Name: N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)propanamide Traditional Name: N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)propionamide Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC(=O)NCCCCN)O)O

Isomeric SMILES

C1=CC(=C(C=C1CCC(=O)NCCCCN)O)O

InChI

InChI=1S/C13H20N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3,5,9,16-17H,1-2,4,6-8,14H2,(H,15,18)