tert-butyl 4-[[6-cyano-4-[4-(cyclopropylcarbamoylamino)-3-fluoranyl-phenoxy]quinolin-7-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[6-cyano-4-[4-(cyclopropylcarbamoylamino)-3-fluoranyl-phenoxy]quinolin-7-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[6-cyano-4-[4-(cyclopropylcarbamoylamino)-3-fluoro-phenoxy]-7-quinolyl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[6-cyano-4-[4-[[(cyclopropylamino)-oxomethyl]amino]-3-fluorophenoxy]-7-quinolinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-cyano-4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]quinolin-7-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[6-cyano-4-[4-(cyclopropylcarbamoylamino)-3-fluoro-phenoxy]-7-quinolyl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H34FN5O5 MolecularWeight: 575.630563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC3=NC=CC(=C3C=C2C#N)OC4=CC(=C(C=C4)NC(=O)NC5CC5)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC3=NC=CC(=C3C=C2C#N)OC4=CC(=C(C=C4)NC(=O)NC5CC5)F

InChI

InChI=1S/C31H34FN5O5/c1-31(2,3)42-30(39)37-12-9-19(10-13-37)18-40-28-16-26-23(14-20(28)17-33)27(8-11-34-26)41-22-6-7-25(24(32)15-22)36-29(38)35-21-4-5-21/h6-8,11,14-16,19,21H,4-5,9-10,12-13,18H2,1-3H3,(H2,35,36,38)