methyl 2-[2-(1H-indol-3-yl)ethyl]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[2-(1H-indol-3-yl)ethyl]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[2-(1H-indol-3-yl)ethyl]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[2-(1H-indol-3-yl)ethyl]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(1H-indol-3-yl)ethyl]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[2-(1H-indol-3-yl)ethyl]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H18N2O3/c1-26-21(25)18-13-23(20(24)17-8-3-2-7-16(17)18)11-10-14-12-22-19-9-5-4-6-15(14)19/h2-9,12-13,22H,10-11H2,1H3