[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-[(2-phenylquinolin-4-yl)carbonylamino]benzoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-[(2-phenylquinolin-4-yl)carbonylamino]benzoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate CAS Name: 2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]benzoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate Traditional Name: 2-[(2-phenylquinoline-4-carbonyl)amino]benzoic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C33H33N3O4 MolecularWeight: 535.63282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C33H33N3O4/c37-31(34-24-15-7-2-1-3-8-16-24)22-40-33(39)26-18-10-12-20-29(26)36-32(38)27-21-30(23-13-5-4-6-14-23)35-28-19-11-9-17-25(27)28/h4-6,9-14,17-21,24H,1-3,7-8,15-16,22H2,(H,34,37)(H,36,38)