2-ethoxy-3-[4-[2-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-(1-keto-3,4-dihydroisoquinolin-2-yl)ethoxy]phenyl]propionic acid Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2CCC3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2CCC3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C22H25NO5/c1-2-27-20(22(25)26)15-16-7-9-18(10-8-16)28-14-13-23-12-11-17-5-3-4-6-19(17)21(23)24/h3-10,20H,2,11-15H2,1H3,(H,25,26)