3-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]phenyl]-2-methoxy-propanoic acid

Systemtic Name: 3-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]phenyl]-2-methoxy-propanoic acid Openeye Name: 3-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]phenyl]-2-methoxy-propanoic acid CAS Name: 3-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid IUPAC Name: 3-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid Traditional Name: 3-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]phenyl]-2-methoxy-propionic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2)C(=O)O

Isomeric SMILES

COC(CC1=CC=C(C=C1)OCC(=O)N2CCC3=CC=CC=C3C2)C(=O)O

InChI

InChI=1S/C21H23NO5/c1-26-19(21(24)25)12-15-6-8-18(9-7-15)27-14-20(23)22-11-10-16-4-2-3-5-17(16)13-22/h2-9,19H,10-14H2,1H3,(H,24,25)