tert-butyl 4-[2-[4-(4-azanyl-3-chloranyl-phenoxy)-6-cyano-quinolin-7-yl]oxyethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-(4-azanyl-3-chloranyl-phenoxy)-6-cyano-quinolin-7-yl]oxyethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[[4-(4-amino-3-chloro-phenoxy)-6-cyano-7-quinolyl]oxy]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[[4-(4-amino-3-chlorophenoxy)-6-cyano-7-quinolinyl]oxy]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(4-amino-3-chlorophenoxy)-6-cyanoquinolin-7-yl]oxyethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[[4-(4-amino-3-chloro-phenoxy)-6-cyano-7-quinolyl]oxy]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H31ClN4O4 MolecularWeight: 523.02314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCOC2=CC3=NC=CC(=C3C=C2C#N)OC4=CC(=C(C=C4)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCOC2=CC3=NC=CC(=C3C=C2C#N)OC4=CC(=C(C=C4)N)Cl

InChI

InChI=1S/C28H31ClN4O4/c1-28(2,3)37-27(34)33-11-7-18(8-12-33)9-13-35-26-16-24-21(14-19(26)17-30)25(6-10-32-24)36-20-4-5-23(31)22(29)15-20/h4-6,10,14-16,18H,7-9,11-13,31H2,1-3H3