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

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-benzamidopropanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic 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] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-15(23-20(25)18-9-4-3-5-10-18)22(27)28-16(2)21(26)24-13-12-17-8-6-7-11-19(17)14-24/h3-11,15-16H,12-14H2,1-2H3,(H,23,25)