sodium 6-fluoranyl-2-[7-(3-methoxyphenyl)-1-methyl-indol-3-yl]-3-methyl-quinoline-4-carboxylate

Systemtic Name: sodium 6-fluoranyl-2-[7-(3-methoxyphenyl)-1-methyl-indol-3-yl]-3-methyl-quinoline-4-carboxylate Openeye Name: sodium 6-fluoro-2-[7-(3-methoxyphenyl)-1-methyl-indol-3-yl]-3-methyl-quinoline-4-carboxylate CAS Name: sodium 6-fluoro-2-[7-(3-methoxyphenyl)-1-methyl-3-indolyl]-3-methyl-4-quinolinecarboxylate IUPAC Name: sodium 6-fluoro-2-[7-(3-methoxyphenyl)-1-methylindol-3-yl]-3-methylquinoline-4-carboxylate Traditional Name: sodium 6-fluoro-2-[7-(3-methoxyphenyl)-1-methyl-indol-3-yl]-3-methyl-cinchoninate Formula: C27H20FN2NaO3 MolecularWeight: 462.447473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)C3=CN(C4=C3C=CC=C4C5=CC(=CC=C5)OC)C.[Na+]

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)C3=CN(C4=C3C=CC=C4C5=CC(=CC=C5)OC)C.[Na+]

InChI

InChI=1S/C27H21FN2O3.Na/c1-15-24(27(31)32)21-13-17(28)10-11-23(21)29-25(15)22-14-30(2)26-19(8-5-9-20(22)26)16-6-4-7-18(12-16)33-3;/h4-14H,1-3H3,(H,31,32);/q;+1/p-1