[3-(hydroxymethyl)-2-[[6-(4-quinolin-2-ylbutoxy)hexylamino]methyl]phenyl]methanol

Systemtic Name: [3-(hydroxymethyl)-2-[[6-(4-quinolin-2-ylbutoxy)hexylamino]methyl]phenyl]methanol Openeye Name: [3-(hydroxymethyl)-2-[[6-[4-(2-quinolyl)butoxy]hexylamino]methyl]phenyl]methanol CAS Name: [3-(hydroxymethyl)-2-[[6-[4-(2-quinolinyl)butoxy]hexylamino]methyl]phenyl]methanol IUPAC Name: [3-(hydroxymethyl)-2-[[6-(4-quinolin-2-ylbutoxy)hexylamino]methyl]phenyl]methanol Traditional Name: [3-methylol-2-[[6-[4-(2-quinolyl)butoxy]hexylamino]methyl]phenyl]methanol Formula: C28H38N2O3 MolecularWeight: 450.61292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CCCCOCCCCCCNCC3=C(C=CC=C3CO)CO

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CCCCOCCCCCCNCC3=C(C=CC=C3CO)CO

InChI

InChI=1S/C28H38N2O3/c31-21-24-11-9-12-25(22-32)27(24)20-29-17-6-1-2-7-18-33-19-8-5-13-26-16-15-23-10-3-4-14-28(23)30-26/h3-4,9-12,14-16,29,31-32H,1-2,5-8,13,17-22H2