2-[4,5-bis(oxidanyl)pentoxy]-4-(3-fluorophenyl)-6-methoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[4,5-bis(oxidanyl)pentoxy]-4-(3-fluorophenyl)-6-methoxy-quinoline-3-carbonitrile Openeye Name: 2-(4,5-dihydroxypentoxy)-4-(3-fluorophenyl)-6-methoxy-quinoline-3-carbonitrile CAS Name: 2-(4,5-dihydroxypentoxy)-4-(3-fluorophenyl)-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 2-(4,5-dihydroxypentoxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile Traditional Name: 2-(4,5-dihydroxypentoxy)-4-(3-fluorophenyl)-6-methoxy-quinoline-3-carbonitrile Formula: C22H21FN2O4 MolecularWeight: 396.411543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=C2C3=CC(=CC=C3)F)C#N)OCCCC(CO)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=C2C3=CC(=CC=C3)F)C#N)OCCCC(CO)O

InChI

InChI=1S/C22H21FN2O4/c1-28-17-7-8-20-18(11-17)21(14-4-2-5-15(23)10-14)19(12-24)22(25-20)29-9-3-6-16(27)13-26/h2,4-5,7-8,10-11,16,26-27H,3,6,9,13H2,1H3