calcium 7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-bis(oxidanyl)heptanoate

Systemtic Name: calcium 7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-bis(oxidanyl)heptanoate Openeye Name: calcium 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-heptanoate CAS Name: calcium 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxyheptanoate IUPAC Name: calcium 7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyheptanoate Traditional Name: calcium 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-enanthate Formula: C50H50CaF2N2O8 MolecularWeight: 885.015406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2CCC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.C1CC1C2=NC3=CC=CC=C3C(=C2CCC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Ca+2]

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2CCC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.C1CC1C2=NC3=CC=CC=C3C(=C2CCC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Ca+2]

InChI

InChI=1S/2C25H26FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-10,16,18-19,28-29H,5-6,11-14H2,(H,30,31);/q;;+2/p-2