2-[4-[2-(6-methoxy-1-oxidanylidene-5-pentoxy-3,4-dihydroisoquinolin-2-yl)ethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(6-methoxy-1-oxidanylidene-5-pentoxy-3,4-dihydroisoquinolin-2-yl)ethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(6-methoxy-1-oxo-5-pentoxy-3,4-dihydroisoquinolin-2-yl)ethyl]phenyl]acetic acid CAS Name: 2-[4-[2-(6-methoxy-1-oxo-5-pentoxy-3,4-dihydroisoquinolin-2-yl)ethyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-(6-methoxy-1-oxo-5-pentoxy-3,4-dihydroisoquinolin-2-yl)ethyl]phenyl]acetic acid Traditional Name: 2-[4-[2-(5-amoxy-1-keto-6-methoxy-3,4-dihydroisoquinolin-2-yl)ethyl]phenyl]acetic acid Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC2=C1CCN(C2=O)CCC3=CC=C(C=C3)CC(=O)O)OC

Isomeric SMILES

CCCCCOC1=C(C=CC2=C1CCN(C2=O)CCC3=CC=C(C=C3)CC(=O)O)OC

InChI

InChI=1S/C25H31NO5/c1-3-4-5-16-31-24-20-13-15-26(25(29)21(20)10-11-22(24)30-2)14-12-18-6-8-19(9-7-18)17-23(27)28/h6-11H,3-5,12-17H2,1-2H3,(H,27,28)