(5-chloranyl-1H-indol-3-yl) 3-isoquinolin-3-yl-2-methyl-3-oxidanylidene-propanoate

Systemtic Name: (5-chloranyl-1H-indol-3-yl) 3-isoquinolin-3-yl-2-methyl-3-oxidanylidene-propanoate Openeye Name: (5-chloro-1H-indol-3-yl) 3-(3-isoquinolyl)-2-methyl-3-oxo-propanoate CAS Name: 3-(3-isoquinolinyl)-2-methyl-3-oxopropanoic acid (5-chloro-1H-indol-3-yl) ester IUPAC Name: (5-chloro-1H-indol-3-yl) 3-isoquinolin-3-yl-2-methyl-3-oxopropanoate Traditional Name: 3-(3-isoquinolyl)-3-keto-2-methyl-propionic acid (5-chloro-1H-indol-3-yl) ester Formula: C21H15ClN2O3 MolecularWeight: 378.8084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=CC=CC=C2C=N1)C(=O)OC3=CNC4=C3C=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)C1=CC2=CC=CC=C2C=N1)C(=O)OC3=CNC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C21H15ClN2O3/c1-12(20(25)18-8-13-4-2-3-5-14(13)10-23-18)21(26)27-19-11-24-17-7-6-15(22)9-16(17)19/h2-12,24H,1H3