sodium 3-[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-3-phenyl-propyl]sulfanylpropanoate

Systemtic Name: sodium 3-[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-3-phenyl-propyl]sulfanylpropanoate Openeye Name: sodium 3-[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-3-phenyl-propyl]sulfanylpropanoate CAS Name: sodium 3-[[1-[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]-3-phenylpropyl]thio]propanoate IUPAC Name: sodium 3-[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-phenylpropyl]sulfanylpropanoate Traditional Name: sodium 3-[[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-3-phenyl-propyl]thio]propionate Formula: C28H25ClNNaO3S MolecularWeight: 514.01077

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C2=CC(=CC=C2)OCC3=NC4=C(C=CC(=C4)Cl)C=C3)SCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCC(C2=CC(=CC=C2)OCC3=NC4=C(C=CC(=C4)Cl)C=C3)SCCC(=O)[O-].[Na+]

InChI

InChI=1S/C28H26ClNO3S.Na/c29-23-12-10-21-11-13-24(30-26(21)18-23)19-33-25-8-4-7-22(17-25)27(34-16-15-28(31)32)14-9-20-5-2-1-3-6-20;/h1-8,10-13,17-18,27H,9,14-16,19H2,(H,31,32);/q;+1/p-1