methyl 2-[2-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoyloxy]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoyloxy]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]oxyacetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethoxy]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]oxyacetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]oxyacetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)NC(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H26N2O6/c1-17(28)27-13-12-19-10-6-7-11-20(19)22(27)15-24(30)33-16-23(29)26-21(25(31)32-2)14-18-8-4-3-5-9-18/h3-13,21-22H,14-16H2,1-2H3,(H,26,29)