[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(4-ethylphenoxy)ethanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(4-ethylphenoxy)ethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(4-ethylphenoxy)acetate CAS Name: 2-(4-ethylphenoxy)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate Traditional Name: 2-(4-ethylphenoxy)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H23NO4/c1-2-16-7-9-19(10-8-16)25-15-21(24)26-14-20(23)22-12-11-17-5-3-4-6-18(17)13-22/h3-10H,2,11-15H2,1H3