3-ethynyl-2-methoxy-5-methyl-3-oxidanyl-2-phosphoroso-4-quinolin-3-yl-hexanoic acid

Systemtic Name: 3-ethynyl-2-methoxy-5-methyl-3-oxidanyl-2-phosphoroso-4-quinolin-3-yl-hexanoic acid Openeye Name: 3-ethynyl-3-hydroxy-2-methoxy-5-methyl-2-phosphoroso-4-(3-quinolyl)hexanoic acid CAS Name: 3-ethynyl-3-hydroxy-2-methoxy-5-methyl-2-phosphoroso-4-(3-quinolinyl)hexanoic acid IUPAC Name: 3-ethynyl-3-hydroxy-2-methoxy-5-methyl-2-phosphoroso-4-quinolin-3-ylhexanoic acid Traditional Name: 3-hydroxy-2-methoxy-3-[2-methyl-1-(3-quinolyl)propyl]-2-phosphoroso-pent-4-ynoic acid Formula: C19H20NO5P MolecularWeight: 373.339561

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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)(OC)P=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H20NO5P/c1-5-18(23,19(25-4,26-24)17(21)22)16(12(2)3)14-10-13-8-6-7-9-15(13)20-11-14/h1,6-12,16,23H,2-4H3,(H,21,22)