sodium (E)-7-(7-methyl-4-phenyl-2-propan-2-yl-quinolin-3-yl)-3,5-bis(oxidanyl)hept-6-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C(=C2C=C1)C3=CC=CC=C3)C=CC(CC(CC(=O)[O-])O)O)C(C)C.[Na+]

Isomeric SMILES

CC1=CC2=NC(=C(C(=C2C=C1)C3=CC=CC=C3)/C=C/C(CC(CC(=O)[O-])O)O)C(C)C.[Na+]

InChI

InChI=1S/C26H29NO4.Na/c1-16(2)26-22(12-10-19(28)14-20(29)15-24(30)31)25(18-7-5-4-6-8-18)21-11-9-17(3)13-23(21)27-26;/h4-13,16,19-20,28-29H,14-15H2,1-3H3,(H,30,31);/q;+1/p-1/b12-10+;