[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-[[(1R)-1-(benzofuran-2-yl)ethyl]amino]-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[[(1R)-1-(2-benzofuranyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-[[(1R)-1-(benzofuran-2-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C[C@H](C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H18N2O5/c1-13(19-11-15-7-3-5-9-18(15)29-19)23-20(25)12-28-22(27)17-10-14-6-2-4-8-16(14)21(26)24-17/h2-11,13H,12H2,1H3,(H,23,25)(H,24,26)/t13-/m1/s1