4-[4-(cyclopropylcarbamoylamino)-3-fluoranyl-phenoxy]-7-methoxy-quinoline-6-carboxylic acid

Systemtic Name: 4-[4-(cyclopropylcarbamoylamino)-3-fluoranyl-phenoxy]-7-methoxy-quinoline-6-carboxylic acid Openeye Name: 4-[4-(cyclopropylcarbamoylamino)-3-fluoro-phenoxy]-7-methoxy-quinoline-6-carboxylic acid CAS Name: 4-[4-[[(cyclopropylamino)-oxomethyl]amino]-3-fluorophenoxy]-7-methoxy-6-quinolinecarboxylic acid IUPAC Name: 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-methoxyquinoline-6-carboxylic acid Traditional Name: 4-[4-(cyclopropylcarbamoylamino)-3-fluoro-phenoxy]-7-methoxy-quinoline-6-carboxylic acid Formula: C21H18FN3O5 MolecularWeight: 411.383123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC=CC(=C2C=C1C(=O)O)OC3=CC(=C(C=C3)NC(=O)NC4CC4)F

Isomeric SMILES

COC1=CC2=NC=CC(=C2C=C1C(=O)O)OC3=CC(=C(C=C3)NC(=O)NC4CC4)F

InChI

InChI=1S/C21H18FN3O5/c1-29-19-10-17-13(9-14(19)20(26)27)18(6-7-23-17)30-12-4-5-16(15(22)8-12)25-21(28)24-11-2-3-11/h4-11H,2-3H2,1H3,(H,26,27)(H2,24,25,28)