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

Systemtic Name: methyl (2S)-2-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-3-phenyl-propionic 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)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H24N2O4/c1-16(26)25-13-12-18-10-6-7-11-19(18)21(25)15-22(27)24-20(23(28)29-2)14-17-8-4-3-5-9-17/h3-13,20-21H,14-15H2,1-2H3,(H,24,27)/t20-,21?/m0/s1