4-[[6-cyano-4-[4-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]quinolin-7-yl]oxymethyl]piperidine-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=NC=CC(=C3C=C2C#N)OC4=CC=C(C=C4)NC(=O)NC5=NC=CS5)C(=O)O

Isomeric SMILES

C1CN(CCC1COC2=CC3=NC=CC(=C3C=C2C#N)OC4=CC=C(C=C4)NC(=O)NC5=NC=CS5)C(=O)O

InChI

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