[4-[2-(6-methoxy-1-oxidanylidene-5-pentoxy-isoquinolin-2-yl)ethyl]phenyl] ethanoate

Systemtic Name: [4-[2-(6-methoxy-1-oxidanylidene-5-pentoxy-isoquinolin-2-yl)ethyl]phenyl] ethanoate Openeye Name: [4-[2-(6-methoxy-1-oxo-5-pentoxy-2-isoquinolyl)ethyl]phenyl] acetate CAS Name: acetic acid [4-[2-(6-methoxy-1-oxo-5-pentoxy-2-isoquinolinyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(6-methoxy-1-oxo-5-pentoxyisoquinolin-2-yl)ethyl]phenyl] acetate Traditional Name: acetic acid [4-[2-(5-amoxy-1-keto-6-methoxy-2-isoquinolyl)ethyl]phenyl] ester Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC2=C1C=CN(C2=O)CCC3=CC=C(C=C3)OC(=O)C)OC

Isomeric SMILES

CCCCCOC1=C(C=CC2=C1C=CN(C2=O)CCC3=CC=C(C=C3)OC(=O)C)OC

InChI

InChI=1S/C25H29NO5/c1-4-5-6-17-30-24-21-14-16-26(25(28)22(21)11-12-23(24)29-3)15-13-19-7-9-20(10-8-19)31-18(2)27/h7-12,14,16H,4-6,13,15,17H2,1-3H3