methyl 4-[2-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]ethyl]benzoate CAS Name: 4-[2-[[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]ethyl]benzoic acid methyl ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H24N2O4/c1-16(26)25-14-12-18-5-3-4-6-20(18)21(25)15-22(27)24-13-11-17-7-9-19(10-8-17)23(28)29-2/h3-10,12,14,21H,11,13,15H2,1-2H3,(H,24,27)