4-[(butan-2-ylamino)-phenyl-methyl]benzene-1,2,3-triol

Systemtic Name: 4-[(butan-2-ylamino)-phenyl-methyl]benzene-1,2,3-triol Openeye Name: 4-[phenyl-(sec-butylamino)methyl]benzene-1,2,3-triol CAS Name: 4-[(butan-2-ylamino)-phenylmethyl]benzene-1,2,3-triol IUPAC Name: 4-[(butan-2-ylamino)-phenylmethyl]benzene-1,2,3-triol Traditional Name: 4-[phenyl-(sec-butylamino)methyl]pyrogallol Formula: C17H21NO3 MolecularWeight: 287.35354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(C1=CC=CC=C1)C2=C(C(=C(C=C2)O)O)O

Isomeric SMILES

CCC(C)NC(C1=CC=CC=C1)C2=C(C(=C(C=C2)O)O)O

InChI

InChI=1S/C17H21NO3/c1-3-11(2)18-15(12-7-5-4-6-8-12)13-9-10-14(19)17(21)16(13)20/h4-11,15,18-21H,3H2,1-2H3