propan-2-yl 3-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C25H27N3O6/c1-16(2)34-25(31)14-21(20-10-6-7-11-22(20)28(32)33)26-24(30)15-23-19-9-5-4-8-18(19)12-13-27(23)17(3)29/h4-13,16,21,23H,14-15H2,1-3H3,(H,26,30)