2-[2-[[7-chloranyl-2-oxidanylidene-6-(pyridin-4-ylcarbamoylamino)-3-thiophen-2-yl-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid

Systemtic Name: 2-[2-[[7-chloranyl-2-oxidanylidene-6-(pyridin-4-ylcarbamoylamino)-3-thiophen-2-yl-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid Openeye Name: 2-[2-[[7-chloro-2-oxo-6-(4-pyridylcarbamoylamino)-3-(2-thienyl)-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid CAS Name: 2-[2-[[7-chloro-2-oxo-6-[[oxo-(pyridin-4-ylamino)methyl]amino]-3-thiophen-2-yl-1H-quinolin-4-yl]oxy]ethyl]-1-piperidinecarboxylic acid IUPAC Name: 2-[2-[[7-chloro-2-oxo-6-(pyridin-4-ylcarbamoylamino)-3-thiophen-2-yl-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid Traditional Name: 2-[2-[[7-chloro-2-keto-6-(4-pyridylcarbamoylamino)-3-(2-thienyl)-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylic acid Formula: C27H26ClN5O5S MolecularWeight: 568.04384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCOC2=C(C(=O)NC3=CC(=C(C=C32)NC(=O)NC4=CC=NC=C4)Cl)C5=CC=CS5)C(=O)O

Isomeric SMILES

C1CCN(C(C1)CCOC2=C(C(=O)NC3=CC(=C(C=C32)NC(=O)NC4=CC=NC=C4)Cl)C5=CC=CS5)C(=O)O

InChI

InChI=1S/C27H26ClN5O5S/c28-19-15-20-18(14-21(19)32-26(35)30-16-6-9-29-10-7-16)24(23(25(34)31-20)22-5-3-13-39-22)38-12-8-17-4-1-2-11-33(17)27(36)37/h3,5-7,9-10,13-15,17H,1-2,4,8,11-12H2,(H,31,34)(H,36,37)(H2,29,30,32,35)