[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-(4-ethoxyphenoxy)propanoate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-(4-ethoxyphenoxy)propanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 3-(4-ethoxyphenoxy)propanoate CAS Name: 3-(4-ethoxyphenoxy)propanoic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate Traditional Name: 3-(4-ethoxyphenoxy)propionic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCC(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCC(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C23H27NO5/c1-3-27-20-8-10-21(11-9-20)28-15-13-22(25)29-17(2)23(26)24-14-12-18-6-4-5-7-19(18)16-24/h4-11,17H,3,12-16H2,1-2H3