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

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C22H19N3O4 MolecularWeight: 389.40396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H19N3O4/c26-20(23-10-9-15-12-24-18-8-4-3-6-16(15)18)13-29-22(28)19-11-14-5-1-2-7-17(14)21(27)25-19/h1-8,11-12,24H,9-10,13H2,(H,23,26)(H,25,27)