propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]propanoate

Systemtic Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]propanoate Openeye Name: isopropyl (3S)-3-(4-methoxyphenyl)-3-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]propanoate CAS Name: (3S)-3-(4-methoxyphenyl)-3-[[oxo-(1-oxo-2H-isoquinolin-3-yl)methyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]propanoate Traditional Name: (3S)-3-[(1-keto-2H-isoquinoline-3-carbonyl)amino]-3-(4-methoxyphenyl)propionic acid isopropyl ester Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(C)OC(=O)C[C@@H](C1=CC=C(C=C1)OC)NC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C23H24N2O5/c1-14(2)30-21(26)13-19(15-8-10-17(29-3)11-9-15)24-23(28)20-12-16-6-4-5-7-18(16)22(27)25-20/h4-12,14,19H,13H2,1-3H3,(H,24,28)(H,25,27)/t19-/m0/s1