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

Systemtic Name: propan-2-yl 3-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C25H28N2O4/c1-17(2)31-25(30)15-22(20-10-5-4-6-11-20)26-24(29)16-23-21-12-8-7-9-19(21)13-14-27(23)18(3)28/h4-14,17,22-23H,15-16H2,1-3H3,(H,26,29)