methyl 2-[2-(1H-indol-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-[2-(1H-indol-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-[2-(1H-indol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[2-(1H-indol-3-yl)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(1H-indol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-[2-(1H-indol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H20N2O3/c1-26-21(25)18-7-4-5-14-13-23(10-9-16(14)18)20(24)11-15-12-22-19-8-3-2-6-17(15)19/h2-8,12,22H,9-11,13H2,1H3