3-ethynyl-5-methyl-2,3-bis(oxidanyl)-2-phosphoroso-4-quinolin-3-yl-hexanoic acid

Systemtic Name: 3-ethynyl-5-methyl-2,3-bis(oxidanyl)-2-phosphoroso-4-quinolin-3-yl-hexanoic acid Openeye Name: 3-ethynyl-2,3-dihydroxy-5-methyl-2-phosphoroso-4-(3-quinolyl)hexanoic acid CAS Name: 3-ethynyl-2,3-dihydroxy-5-methyl-2-phosphoroso-4-(3-quinolinyl)hexanoic acid IUPAC Name: 3-ethynyl-2,3-dihydroxy-5-methyl-2-phosphoroso-4-quinolin-3-ylhexanoic acid Traditional Name: 2,3-dihydroxy-3-[2-methyl-1-(3-quinolyl)propyl]-2-phosphoroso-pent-4-ynoic acid Formula: C18H18NO5P MolecularWeight: 359.312981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=CC=CC=C2N=C1)C(C#C)(C(C(=O)O)(O)P=O)O

Isomeric SMILES

CC(C)C(C1=CC2=CC=CC=C2N=C1)C(C#C)(C(C(=O)O)(O)P=O)O

InChI

InChI=1S/C18H18NO5P/c1-4-17(22,18(23,25-24)16(20)21)15(11(2)3)13-9-12-7-5-6-8-14(12)19-10-13/h1,5-11,15,22-23H,2-3H3,(H,20,21)