methyl 8-[2-azanyl-2-[4-[[(E)-3-[2,5-bis(fluoranyl)phenyl]prop-2-enyl]amino]cyclohexyl]ethyl]-2-methoxy-quinoline-5-carboxylate

Systemtic Name: methyl 8-[2-azanyl-2-[4-[[(E)-3-[2,5-bis(fluoranyl)phenyl]prop-2-enyl]amino]cyclohexyl]ethyl]-2-methoxy-quinoline-5-carboxylate Openeye Name: methyl 8-[2-amino-2-[4-[[(E)-3-(2,5-difluorophenyl)allyl]amino]cyclohexyl]ethyl]-2-methoxy-quinoline-5-carboxylate CAS Name: 8-[2-amino-2-[4-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]cyclohexyl]ethyl]-2-methoxy-5-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 8-[2-amino-2-[4-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]cyclohexyl]ethyl]-2-methoxyquinoline-5-carboxylate Traditional Name: 8-[2-amino-2-[4-[[(E)-3-(2,5-difluorophenyl)allyl]amino]cyclohexyl]ethyl]-2-methoxy-quinoline-5-carboxylic acid methyl ester Formula: C29H33F2N3O3 MolecularWeight: 509.587426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(C=CC(=C2C=C1)C(=O)OC)CC(C3CCC(CC3)NCC=CC4=C(C=CC(=C4)F)F)N

Isomeric SMILES

COC1=NC2=C(C=CC(=C2C=C1)C(=O)OC)CC(C3CCC(CC3)NC/C=C/C4=C(C=CC(=C4)F)F)N

InChI

InChI=1S/C29H33F2N3O3/c1-36-27-14-12-23-24(29(35)37-2)11-7-20(28(23)34-27)17-26(32)18-5-9-22(10-6-18)33-15-3-4-19-16-21(30)8-13-25(19)31/h3-4,7-8,11-14,16,18,22,26,33H,5-6,9-10,15,17,32H2,1-2H3/b4-3+