1-[[5-chloranyl-3-[(2,6-dimethyl-4-propyl-phenyl)carbamoylamino]pyridin-2-yl]carbonylamino]cyclooctane-1-carboxylic acid

Systemtic Name: 1-[[5-chloranyl-3-[(2,6-dimethyl-4-propyl-phenyl)carbamoylamino]pyridin-2-yl]carbonylamino]cyclooctane-1-carboxylic acid Openeye Name: 1-[[5-chloro-3-[(2,6-dimethyl-4-propyl-phenyl)carbamoylamino]pyridine-2-carbonyl]amino]cyclooctanecarboxylic acid CAS Name: 1-[[[5-chloro-3-[[(2,6-dimethyl-4-propylanilino)-oxomethyl]amino]-2-pyridinyl]-oxomethyl]amino]-1-cyclooctanecarboxylic acid IUPAC Name: 1-[[5-chloro-3-[(2,6-dimethyl-4-propylphenyl)carbamoylamino]pyridine-2-carbonyl]amino]cyclooctane-1-carboxylic acid Traditional Name: 1-[[5-chloro-3-[(2,6-dimethyl-4-propyl-phenyl)carbamoylamino]picolinoyl]amino]cyclooctanecarboxylic acid Formula: C27H35ClN4O4 MolecularWeight: 515.0442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1)C)NC(=O)NC2=CC(=CN=C2C(=O)NC3(CCCCCCC3)C(=O)O)Cl)C

Isomeric SMILES

CCCC1=CC(=C(C(=C1)C)NC(=O)NC2=CC(=CN=C2C(=O)NC3(CCCCCCC3)C(=O)O)Cl)C

InChI

InChI=1S/C27H35ClN4O4/c1-4-10-19-13-17(2)22(18(3)14-19)31-26(36)30-21-15-20(28)16-29-23(21)24(33)32-27(25(34)35)11-8-6-5-7-9-12-27/h13-16H,4-12H2,1-3H3,(H,32,33)(H,34,35)(H2,30,31,36)