[4-[3-(2-hydroxyethyl)phenyl]-1-methoxy-isoquinolin-5-yl] benzoate

Systemtic Name: [4-[3-(2-hydroxyethyl)phenyl]-1-methoxy-isoquinolin-5-yl] benzoate Openeye Name: [4-[3-(2-hydroxyethyl)phenyl]-1-methoxy-5-isoquinolyl] benzoate CAS Name: benzoic acid [4-[3-(2-hydroxyethyl)phenyl]-1-methoxy-5-isoquinolinyl] ester IUPAC Name: [4-[3-(2-hydroxyethyl)phenyl]-1-methoxyisoquinolin-5-yl] benzoate Traditional Name: benzoic acid [4-[3-(2-hydroxyethyl)phenyl]-1-methoxy-5-isoquinolyl] ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C2=C1C=CC=C2OC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)CCO

Isomeric SMILES

COC1=NC=C(C2=C1C=CC=C2OC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)CCO

InChI

InChI=1S/C25H21NO4/c1-29-24-20-11-6-12-22(30-25(28)18-8-3-2-4-9-18)23(20)21(16-26-24)19-10-5-7-17(15-19)13-14-27/h2-12,15-16,27H,13-14H2,1H3