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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C1=CC=CC(=C1)C2=CNC3=CC=CC=C32)(C(=O)O)NCC4=CC5=CC=CC=C5O4

Isomeric SMILES

CCC(=O)NC(C1=CC=CC(=C1)C2=CNC3=CC=CC=C32)(C(=O)O)NCC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C28H25N3O4/c1-2-26(32)31-28(27(33)34,30-16-21-15-19-8-3-6-13-25(19)35-21)20-10-7-9-18(14-20)23-17-29-24-12-5-4-11-22(23)24/h3-15,17,29-30H,2,16H2,1H3,(H,31,32)(H,33,34)