tert-butyl 4-[[5-[5-(7-chloranylquinolin-4-yl)oxypentoxy]-4-oxidanylidene-pyran-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-[5-(7-chloranylquinolin-4-yl)oxypentoxy]-4-oxidanylidene-pyran-2-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[5-[5-[(7-chloro-4-quinolyl)oxy]pentoxy]-4-oxo-pyran-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-[5-[(7-chloro-4-quinolinyl)oxy]pentoxy]-4-oxo-2-pyranyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-[5-(7-chloroquinolin-4-yl)oxypentoxy]-4-oxopyran-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-[5-[(7-chloro-4-quinolyl)oxy]pentoxy]-4-keto-pyran-2-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H36ClN3O6 MolecularWeight: 558.06564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=O)C(=CO2)OCCCCCOC3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=O)C(=CO2)OCCCCCOC3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C29H36ClN3O6/c1-29(2,3)39-28(35)33-13-11-32(12-14-33)19-22-18-25(34)27(20-38-22)37-16-6-4-5-15-36-26-9-10-31-24-17-21(30)7-8-23(24)26/h7-10,17-18,20H,4-6,11-16,19H2,1-3H3