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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(4-methylphenoxy)propanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(4-methylphenoxy)propanoate CAS Name: 2-(4-methylphenoxy)propanoic 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-methylphenoxy)propanoate Traditional Name: 2-(4-methylphenoxy)propionic 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:

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

Isomeric SMILES

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

InChI

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