2-[[2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)propanoyl]amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)propanoyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[[2-(benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)propanoyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[2-(2-benzofuranylmethylamino)-3-(1H-indol-3-yl)-1-oxopropyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)propanoyl]amino]-2-phenylacetic acid Traditional Name: 2-[[2-(benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)propanoyl]amino]-2-phenyl-acetic acid Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NCC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NCC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C28H25N3O4/c32-27(31-26(28(33)34)18-8-2-1-3-9-18)24(15-20-16-29-23-12-6-5-11-22(20)23)30-17-21-14-19-10-4-7-13-25(19)35-21/h1-14,16,24,26,29-30H,15,17H2,(H,31,32)(H,33,34)