ditert-butyl 2-[4-fluoranyl-2-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]phenyl]propanedioate

Systemtic Name: ditert-butyl 2-[4-fluoranyl-2-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]phenyl]propanedioate Openeye Name: ditert-butyl 2-[2-[(1-benzyloxycarbonyl-4-piperidyl)amino]-4-fluoro-phenyl]propanedioate CAS Name: 2-[4-fluoro-2-[(1-phenylmethoxycarbonyl-4-piperidinyl)amino]phenyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[4-fluoro-2-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]phenyl]propanedioate Traditional Name: 2-[2-[(1-carbobenzoxy-4-piperidyl)amino]-4-fluoro-phenyl]malonic acid ditert-butyl ester Formula: C30H39FN2O6 MolecularWeight: 542.638863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=C(C=C(C=C1)F)NC2CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=C(C=C(C=C1)F)NC2CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H39FN2O6/c1-29(2,3)38-26(34)25(27(35)39-30(4,5)6)23-13-12-21(31)18-24(23)32-22-14-16-33(17-15-22)28(36)37-19-20-10-8-7-9-11-20/h7-13,18,22,25,32H,14-17,19H2,1-6H3