(2E)-2-[4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-phenylmethoxycarbonyl-piperidin-3-ylidene]ethanoate

Systemtic Name: (2E)-2-[4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-phenylmethoxycarbonyl-piperidin-3-ylidene]ethanoate Openeye Name: (2E)-2-[1-benzyloxycarbonyl-4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-3-piperidylidene]acetate CAS Name: (2E)-2-[4-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-1-phenylmethoxycarbonyl-3-piperidinylidene]acetate IUPAC Name: (2E)-2-[4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-phenylmethoxycarbonylpiperidin-3-ylidene]acetate Traditional Name: (2E)-2-[1-carbobenzoxy-4-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-3-piperidylidene]acetate Formula: C28H28FN2O5- MolecularWeight: 491.530723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3CCN(CC3=CC(=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC\3CCN(C/C3=C/C(=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H29FN2O5/c1-35-22-10-11-26-24(15-22)23(25(29)16-30-26)9-5-8-20-12-13-31(17-21(20)14-27(32)33)28(34)36-18-19-6-3-2-4-7-19/h2-4,6-7,10-11,14-16,20H,5,8-9,12-13,17-18H2,1H3,(H,32,33)/p-1/b21-14-