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

Systemtic Name: 4-[4-(cyclopropylcarbamoylamino)-3-methyl-phenoxy]-7-methoxy-quinoline-6-carboxylic acid Openeye Name: 4-[4-(cyclopropylcarbamoylamino)-3-methyl-phenoxy]-7-methoxy-quinoline-6-carboxylic acid CAS Name: 4-[4-[[(cyclopropylamino)-oxomethyl]amino]-3-methylphenoxy]-7-methoxy-6-quinolinecarboxylic acid IUPAC Name: 4-[4-(cyclopropylcarbamoylamino)-3-methylphenoxy]-7-methoxyquinoline-6-carboxylic acid Traditional Name: 4-[4-(cyclopropylcarbamoylamino)-3-methyl-phenoxy]-7-methoxy-quinoline-6-carboxylic acid Formula: C22H21N3O5 MolecularWeight: 407.41924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)C(=O)O)NC(=O)NC4CC4

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)C(=O)O)NC(=O)NC4CC4

InChI

InChI=1S/C22H21N3O5/c1-12-9-14(5-6-17(12)25-22(28)24-13-3-4-13)30-19-7-8-23-18-11-20(29-2)16(21(26)27)10-15(18)19/h5-11,13H,3-4H2,1-2H3,(H,26,27)(H2,24,25,28)