methyl 2-[2-(1H-indol-3-yl)ethyl]-6-oxidanylidene-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-[2-(1H-indol-3-yl)ethyl]-6-oxidanylidene-isoquinoline-5-carboxylate Openeye Name: methyl 2-[2-(1H-indol-3-yl)ethyl]-6-oxo-isoquinoline-5-carboxylate CAS Name: 2-[2-(1H-indol-3-yl)ethyl]-6-oxo-5-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(1H-indol-3-yl)ethyl]-6-oxoisoquinoline-5-carboxylate Traditional Name: 2-[2-(1H-indol-3-yl)ethyl]-6-keto-isoquinoline-5-carboxylic acid methyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CN(C=C2C=CC1=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C2C=CN(C=C2C=CC1=O)CCC3=CNC4=CC=CC=C43

InChI

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