3-[2-(quinolin-4-ylamino)ethyl]benzene-1,2-diol hydrate

Systemtic Name: 3-[2-(quinolin-4-ylamino)ethyl]benzene-1,2-diol hydrate Openeye Name: 3-[2-(4-quinolylamino)ethyl]benzene-1,2-diol hydrate CAS Name: 3-[2-(4-quinolinylamino)ethyl]benzene-1,2-diol hydrate IUPAC Name: 3-[2-(quinolin-4-ylamino)ethyl]benzene-1,2-diol hydrate Traditional Name: 3-[2-(4-quinolylamino)ethyl]pyrocatechol hydrate Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)NCCC3=C(C(=CC=C3)O)O.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)NCCC3=C(C(=CC=C3)O)O.O

InChI

InChI=1S/C17H16N2O2.H2O/c20-16-7-3-4-12(17(16)21)8-10-18-15-9-11-19-14-6-2-1-5-13(14)15;/h1-7,9,11,20-21H,8,10H2,(H,18,19);1H2