sodium (3R,5R)-7-[1-(4-fluorophenyl)-4-oxidanylidene-5-phenyl-3-propan-2-yl-pyrrolo[2,3-c]quinolin-2-yl]-3,5-bis(oxidanyl)heptanoate

Systemtic Name: sodium (3R,5R)-7-[1-(4-fluorophenyl)-4-oxidanylidene-5-phenyl-3-propan-2-yl-pyrrolo[2,3-c]quinolin-2-yl]-3,5-bis(oxidanyl)heptanoate Openeye Name: sodium (3R,5R)-7-[1-(4-fluorophenyl)-3-isopropyl-4-oxo-5-phenyl-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxy-heptanoate CAS Name: sodium (3R,5R)-7-[1-(4-fluorophenyl)-4-oxo-5-phenyl-3-propan-2-yl-2-pyrrolo[2,3-c]quinolinyl]-3,5-dihydroxyheptanoate IUPAC Name: sodium (3R,5R)-7-[1-(4-fluorophenyl)-4-oxo-5-phenyl-3-propan-2-ylpyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoate Traditional Name: sodium (3R,5R)-7-[1-(4-fluorophenyl)-3-isopropyl-4-keto-5-phenyl-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxy-enanthate Formula: C33H32FN2NaO5 MolecularWeight: 578.605753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C2=C1C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=C(C=C5)F)CCC(CC(CC(=O)[O-])O)O.[Na+]

Isomeric SMILES

CC(C)N1C(=C(C2=C1C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=C(C=C5)F)CC[C@H](C[C@H](CC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C33H33FN2O5.Na/c1-20(2)35-28(17-16-24(37)18-25(38)19-29(39)40)30(21-12-14-22(34)15-13-21)31-26-10-6-7-11-27(26)36(33(41)32(31)35)23-8-4-3-5-9-23;/h3-15,20,24-25,37-38H,16-19H2,1-2H3,(H,39,40);/q;+1/p-1/t24-,25-;/m1./s1