4-[(1-phenylbutylamino)methyl]benzene-1,2-diol

Systemtic Name: 4-[(1-phenylbutylamino)methyl]benzene-1,2-diol Openeye Name: 4-[(1-phenylbutylamino)methyl]benzene-1,2-diol CAS Name: 4-[(1-phenylbutylamino)methyl]benzene-1,2-diol IUPAC Name: 4-[(1-phenylbutylamino)methyl]benzene-1,2-diol Traditional Name: 4-[(1-phenylbutylamino)methyl]pyrocatechol Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NCC2=CC(=C(C=C2)O)O

Isomeric SMILES

CCCC(C1=CC=CC=C1)NCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C17H21NO2/c1-2-6-15(14-7-4-3-5-8-14)18-12-13-9-10-16(19)17(20)11-13/h3-5,7-11,15,18-20H,2,6,12H2,1H3