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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-benzamidopropanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic 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-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCC2=CC=CC=C2C1)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OCC(=O)N1CCC2=CC=CC=C2C1)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-15(22-20(25)17-8-3-2-4-9-17)21(26)27-14-19(24)23-12-11-16-7-5-6-10-18(16)13-23/h2-10,15H,11-14H2,1H3,(H,22,25)