ethyl 7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-bis(oxidanyl)hept-6-ynoate

Systemtic Name: ethyl 7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-bis(oxidanyl)hept-6-ynoate Openeye Name: ethyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-hept-6-ynoate CAS Name: 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptynoic acid ethyl ester IUPAC Name: ethyl 7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-ynoate Traditional Name: 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-hept-6-ynoic acid ethyl ester Formula: C27H26FNO4 MolecularWeight: 447.498043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(C#CC1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)O)O

Isomeric SMILES

CCOC(=O)CC(CC(C#CC1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)O)O

InChI

InChI=1S/C27H26FNO4/c1-2-33-25(32)16-21(31)15-20(30)13-14-23-26(17-9-11-19(28)12-10-17)22-5-3-4-6-24(22)29-27(23)18-7-8-18/h3-6,9-12,18,20-21,30-31H,2,7-8,15-16H2,1H3