5-butyl-2-(isoquinolin-1-ylmethyl)phenol

Systemtic Name: 5-butyl-2-(isoquinolin-1-ylmethyl)phenol Openeye Name: 5-butyl-2-(1-isoquinolylmethyl)phenol CAS Name: 5-butyl-2-(1-isoquinolinylmethyl)phenol IUPAC Name: 5-butyl-2-(isoquinolin-1-ylmethyl)phenol Traditional Name: 5-butyl-2-(1-isoquinolylmethyl)phenol Formula: C20H21NO MolecularWeight: 291.38684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)CC2=NC=CC3=CC=CC=C32)O

Isomeric SMILES

CCCCC1=CC(=C(C=C1)CC2=NC=CC3=CC=CC=C32)O

InChI

InChI=1S/C20H21NO/c1-2-3-6-15-9-10-17(20(22)13-15)14-19-18-8-5-4-7-16(18)11-12-21-19/h4-5,7-13,22H,2-3,6,14H2,1H3