methyl 2-(2,3-dihydro-1-benzofuran-5-ylcarbonylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-(2,3-dihydro-1-benzofuran-5-ylcarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-(2,3-dihydrobenzofuran-5-carbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2,3-dihydrobenzofuran-5-yl(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 2-(coumaran-5-carbonylamino)-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H20N2O4/c1-26-21(25)18(11-15-12-22-17-5-3-2-4-16(15)17)23-20(24)14-6-7-19-13(10-14)8-9-27-19/h2-7,10,12,18,22H,8-9,11H2,1H3,(H,23,24)