sodium (E)-7-[1-(4-fluorophenyl)-3-propan-2-yl-pyrrolo[2,1-a]phthalazin-2-yl]-3,5-bis(oxidanyl)hept-6-enoate

Systemtic Name: sodium (E)-7-[1-(4-fluorophenyl)-3-propan-2-yl-pyrrolo[2,1-a]phthalazin-2-yl]-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: sodium (E)-7-[1-(4-fluorophenyl)-3-isopropyl-pyrrolo[2,1-a]phthalazin-2-yl]-3,5-dihydroxy-hept-6-enoate CAS Name: sodium (E)-7-[1-(4-fluorophenyl)-3-propan-2-yl-2-pyrrolo[2,1-a]phthalazinyl]-3,5-dihydroxy-6-heptenoate IUPAC Name: sodium (E)-7-[1-(4-fluorophenyl)-3-propan-2-ylpyrrolo[2,1-a]phthalazin-2-yl]-3,5-dihydroxyhept-6-enoate Traditional Name: sodium (E)-7-[1-(4-fluorophenyl)-3-isopropyl-pyrrolo[2,1-a]phthalazin-2-yl]-3,5-dihydroxy-hept-6-enoate Formula: C27H26FN2NaO4 MolecularWeight: 484.494513

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2N1N=CC3=CC=CC=C32)C4=CC=C(C=C4)F)C=CC(CC(CC(=O)[O-])O)O.[Na+]

Isomeric SMILES

CC(C)C1=C(C(=C2N1N=CC3=CC=CC=C32)C4=CC=C(C=C4)F)/C=C/C(CC(CC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C27H27FN2O4.Na/c1-16(2)26-23(12-11-20(31)13-21(32)14-24(33)34)25(17-7-9-19(28)10-8-17)27-22-6-4-3-5-18(22)15-29-30(26)27;/h3-12,15-16,20-21,31-32H,13-14H2,1-2H3,(H,33,34);/q;+1/p-1/b12-11+;