3-azanyl-2-[7-(3-iodanyl-4-oxidanyl-phenoxy)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-azanyl-2-[7-(3-iodanyl-4-oxidanyl-phenoxy)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-amino-2-[7-(4-hydroxy-3-iodo-phenoxy)-6-methyl-indan-4-yl]-3-oxo-propanoic acid CAS Name: 3-amino-2-[7-(4-hydroxy-3-iodophenoxy)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxopropanoic acid IUPAC Name: 3-amino-2-[7-(4-hydroxy-3-iodophenoxy)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-oxopropanoic acid Traditional Name: 3-amino-2-[7-(4-hydroxy-3-iodo-phenoxy)-6-methyl-indan-4-yl]-3-keto-propionic acid Formula: C19H18INO5 MolecularWeight: 467.25439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(CCC2)C(=C1)C(C(=O)N)C(=O)O)OC3=CC(=C(C=C3)O)I

Isomeric SMILES

CC1=C(C2=C(CCC2)C(=C1)C(C(=O)N)C(=O)O)OC3=CC(=C(C=C3)O)I

InChI

InChI=1S/C19H18INO5/c1-9-7-13(16(18(21)23)19(24)25)11-3-2-4-12(11)17(9)26-10-5-6-15(22)14(20)8-10/h5-8,16,22H,2-4H2,1H3,(H2,21,23)(H,24,25)