4-[[[2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[2-(benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(2-benzofuranylmethylamino)-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]methyl]benzoic acid Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC3=CC=C(C=C3)C(=O)O)NCC4=CC5=CC=CC=C5O4

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC3=CC=C(C=C3)C(=O)O)NCC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C29H27N3O4/c1-29(15-22-17-30-25-8-4-3-7-24(22)25,32-18-23-14-21-6-2-5-9-26(21)36-23)28(35)31-16-19-10-12-20(13-11-19)27(33)34/h2-14,17,30,32H,15-16,18H2,1H3,(H,31,35)(H,33,34)