2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-propanoic acid

Systemtic Name: 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-propanoic acid Openeye Name: 2-(benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-propanoic acid CAS Name: 2-(2-benzofuranylmethylamino)-3-(1H-indol-3-yl)-2-methylpropanoic acid IUPAC Name: 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methylpropanoic acid Traditional Name: 2-(benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-propionic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)O)NCC3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)(C(=O)O)NCC3=CC4=CC=CC=C4O3

InChI

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