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

Systemtic Name: 3-azanyl-2-[6-iodanyl-7-(4-oxidanyl-3-propan-2-yl-phenoxy)-2,3-dihydro-1H-inden-4-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-amino-2-[7-(4-hydroxy-3-isopropyl-phenoxy)-6-iodo-indan-4-yl]-3-oxo-propanoic acid CAS Name: 3-amino-2-[7-(4-hydroxy-3-propan-2-ylphenoxy)-6-iodo-2,3-dihydro-1H-inden-4-yl]-3-oxopropanoic acid IUPAC Name: 3-amino-2-[7-(4-hydroxy-3-propan-2-ylphenoxy)-6-iodo-2,3-dihydro-1H-inden-4-yl]-3-oxopropanoic acid Traditional Name: 3-amino-2-[7-(4-hydroxy-3-isopropyl-phenoxy)-6-iodo-indan-4-yl]-3-keto-propionic acid Formula: C21H22INO5 MolecularWeight: 495.30755

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C3=C2CCC3)C(C(=O)N)C(=O)O)I)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C3=C2CCC3)C(C(=O)N)C(=O)O)I)O

InChI

InChI=1S/C21H22INO5/c1-10(2)14-8-11(6-7-17(14)24)28-19-13-5-3-4-12(13)15(9-16(19)22)18(20(23)25)21(26)27/h6-10,18,24H,3-5H2,1-2H3,(H2,23,25)(H,26,27)