sodium (E)-7-[4-(4-methylphenyl)-2-propan-2-yl-quinolin-3-yl]-3,5-bis(oxidanyl)hept-6-enoate

Systemtic Name: sodium (E)-7-[4-(4-methylphenyl)-2-propan-2-yl-quinolin-3-yl]-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: sodium (E)-3,5-dihydroxy-7-[2-isopropyl-4-(p-tolyl)-3-quinolyl]hept-6-enoate CAS Name: sodium (E)-3,5-dihydroxy-7-[4-(4-methylphenyl)-2-propan-2-yl-3-quinolinyl]-6-heptenoate IUPAC Name: sodium (E)-3,5-dihydroxy-7-[4-(4-methylphenyl)-2-propan-2-ylquinolin-3-yl]hept-6-enoate Traditional Name: sodium (E)-3,5-dihydroxy-7-[2-isopropyl-4-(p-tolyl)-3-quinolyl]hept-6-enoate Formula: C26H28NNaO4 MolecularWeight: 441.49459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC3=CC=CC=C32)C(C)C)C=CC(CC(CC(=O)[O-])O)O.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC3=CC=CC=C32)C(C)C)/C=C/C(CC(CC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C26H29NO4.Na/c1-16(2)26-22(13-12-19(28)14-20(29)15-24(30)31)25(18-10-8-17(3)9-11-18)21-6-4-5-7-23(21)27-26;/h4-13,16,19-20,28-29H,14-15H2,1-3H3,(H,30,31);/q;+1/p-1/b13-12+;