3-[5-[2-(1H-imidazol-2-ylamino)-2-oxidanylidene-ethoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[2-(1H-imidazol-2-ylamino)-2-oxidanylidene-ethoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[2-(1H-imidazol-2-ylamino)-2-oxo-ethoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[2-(1H-imidazol-2-ylamino)-2-oxoethoxy]-1H-indol-3-yl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[2-(1H-imidazol-2-ylamino)-2-oxoethoxy]-1H-indol-3-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[2-(1H-imidazol-2-ylamino)-2-keto-ethoxy]-1H-indol-3-yl]-3-phenyl-propionic acid Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=C(C=C3)OCC(=O)NC4=NC=CN4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=C(C=C3)OCC(=O)NC4=NC=CN4

InChI

InChI=1S/C22H20N4O4/c27-20(26-22-23-8-9-24-22)13-30-15-6-7-19-17(10-15)18(12-25-19)16(11-21(28)29)14-4-2-1-3-5-14/h1-10,12,16,25H,11,13H2,(H,28,29)(H2,23,24,26,27)