phenyl 4-(6-methoxy-1-oxidanylidene-5-pentoxy-isoquinolin-2-yl)butanoate

Systemtic Name: phenyl 4-(6-methoxy-1-oxidanylidene-5-pentoxy-isoquinolin-2-yl)butanoate Openeye Name: phenyl 4-(6-methoxy-1-oxo-5-pentoxy-2-isoquinolyl)butanoate CAS Name: 4-(6-methoxy-1-oxo-5-pentoxy-2-isoquinolinyl)butanoic acid phenyl ester IUPAC Name: phenyl 4-(6-methoxy-1-oxo-5-pentoxyisoquinolin-2-yl)butanoate Traditional Name: 4-(5-amoxy-1-keto-6-methoxy-2-isoquinolyl)butyric acid 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)CCCC(=O)OC3=CC=CC=C3)OC

Isomeric SMILES

CCCCCOC1=C(C=CC2=C1C=CN(C2=O)CCCC(=O)OC3=CC=CC=C3)OC

InChI

InChI=1S/C25H29NO5/c1-3-4-8-18-30-24-20-15-17-26(25(28)21(20)13-14-22(24)29-2)16-9-12-23(27)31-19-10-6-5-7-11-19/h5-7,10-11,13-15,17H,3-4,8-9,12,16,18H2,1-2H3