tert-butyl 4-[[4-[di(propan-2-yl)carbamoyl]phenyl]-quinolin-8-yl-methylidene]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[di(propan-2-yl)carbamoyl]phenyl]-quinolin-8-yl-methylidene]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(diisopropylcarbamoyl)phenyl]-(8-quinolyl)methylene]piperidine-1-carboxylate CAS Name: 4-[[4-[[di(propan-2-yl)amino]-oxomethyl]phenyl]-(8-quinolinyl)methylidene]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[di(propan-2-yl)carbamoyl]phenyl]-quinolin-8-ylmethylidene]piperidine-1-carboxylate Traditional Name: 4-[[4-(diisopropylcarbamoyl)phenyl]-(8-quinolyl)methylene]piperidine-1-carboxylic acid tert-butyl ester Formula: C33H41N3O3 MolecularWeight: 527.69694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)C(=C2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)C(=C2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C33H41N3O3/c1-22(2)36(23(3)4)31(37)27-15-13-24(14-16-27)29(28-12-8-10-26-11-9-19-34-30(26)28)25-17-20-35(21-18-25)32(38)39-33(5,6)7/h8-16,19,22-23H,17-18,20-21H2,1-7H3