phenyl 4-(6-methoxy-1-oxidanylidene-7-pentoxy-3,4-dihydroisoquinolin-2-yl)butanoate

Systemtic Name: phenyl 4-(6-methoxy-1-oxidanylidene-7-pentoxy-3,4-dihydroisoquinolin-2-yl)butanoate Openeye Name: phenyl 4-(6-methoxy-1-oxo-7-pentoxy-3,4-dihydroisoquinolin-2-yl)butanoate CAS Name: 4-(6-methoxy-1-oxo-7-pentoxy-3,4-dihydroisoquinolin-2-yl)butanoic acid phenyl ester IUPAC Name: phenyl 4-(6-methoxy-1-oxo-7-pentoxy-3,4-dihydroisoquinolin-2-yl)butanoate Traditional Name: 4-(7-amoxy-1-keto-6-methoxy-3,4-dihydroisoquinolin-2-yl)butyric acid phenyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C2CCN(C(=O)C2=C1)CCCC(=O)OC3=CC=CC=C3)OC

Isomeric SMILES

CCCCCOC1=C(C=C2CCN(C(=O)C2=C1)CCCC(=O)OC3=CC=CC=C3)OC

InChI

InChI=1S/C25H31NO5/c1-3-4-8-16-30-23-18-21-19(17-22(23)29-2)13-15-26(25(21)28)14-9-12-24(27)31-20-10-6-5-7-11-20/h5-7,10-11,17-18H,3-4,8-9,12-16H2,1-2H3