methyl (2S)-2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-(1,3-dioxo-4H-isoquinolin-2-yl)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-(1,3-dioxo-4H-isoquinolin-2-yl)-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(1,3-dioxo-4H-isoquinolin-2-yl)-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-(1,3-diketo-4H-isoquinolin-2-yl)-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)N3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N2O4/c1-27-21(26)18(10-14-12-22-17-9-5-4-7-15(14)17)23-19(24)11-13-6-2-3-8-16(13)20(23)25/h2-9,12,18,22H,10-11H2,1H3/t18-/m0/s1