4-[(6-cyanoquinolin-7-yl)oxy-[4-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]methyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[(6-cyanoquinolin-7-yl)oxy-[4-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]methyl]piperidine-1-carboxylic acid Openeye Name: 4-[(6-cyano-7-quinolyl)oxy-[4-(thiazol-2-ylcarbamoylamino)phenoxy]methyl]piperidine-1-carboxylic acid CAS Name: 4-[(6-cyano-7-quinolinyl)oxy-[4-[[oxo-(2-thiazolylamino)methyl]amino]phenoxy]methyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[(6-cyanoquinolin-7-yl)oxy-[4-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]methyl]piperidine-1-carboxylic acid Traditional Name: 4-[(6-cyano-7-quinolyl)oxy-[4-(thiazol-2-ylcarbamoylamino)phenoxy]methyl]piperidine-1-carboxylic acid Formula: C27H24N6O5S MolecularWeight: 544.58166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(OC2=CC=C(C=C2)NC(=O)NC3=NC=CS3)OC4=CC5=C(C=CC=N5)C=C4C#N)C(=O)O

Isomeric SMILES

C1CN(CCC1C(OC2=CC=C(C=C2)NC(=O)NC3=NC=CS3)OC4=CC5=C(C=CC=N5)C=C4C#N)C(=O)O

InChI

InChI=1S/C27H24N6O5S/c28-16-19-14-18-2-1-9-29-22(18)15-23(19)38-24(17-7-11-33(12-8-17)27(35)36)37-21-5-3-20(4-6-21)31-25(34)32-26-30-10-13-39-26/h1-6,9-10,13-15,17,24H,7-8,11-12H2,(H,35,36)(H2,30,31,32,34)