2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid; 2-(phosphonomethylamino)ethanoic acid

Systemtic Name: 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid; 2-(phosphonomethylamino)ethanoic acid Openeye Name: 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)quinoline-3-carboxylic acid; 2-(phosphonomethylamino)acetic acid CAS Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-quinolinecarboxylic acid; 2-(phosphonomethylamino)acetic acid IUPAC Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid; 2-(phosphonomethylamino)acetic acid Traditional Name: 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)quinoline-3-carboxylic acid; 2-(phosphonomethylamino)acetic acid Formula: C20H25N4O8P MolecularWeight: 480.408261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C.C(C(=O)O)NCP(=O)(O)O

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C.C(C(=O)O)NCP(=O)(O)O

InChI

InChI=1S/C17H17N3O3.C3H8NO5P/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13;5-3(6)1-4-2-10(7,8)9/h4-9H,1-3H3,(H,21,22)(H,19,20,23);4H,1-2H2,(H,5,6)(H2,7,8,9)