sodium 4-[3-[(E)-2-(5-chloranylquinolin-2-yl)ethenyl]phenoxy]butanoate

Systemtic Name: sodium 4-[3-[(E)-2-(5-chloranylquinolin-2-yl)ethenyl]phenoxy]butanoate Openeye Name: sodium 4-[3-[(E)-2-(5-chloro-2-quinolyl)vinyl]phenoxy]butanoate CAS Name: sodium 4-[3-[(E)-2-(5-chloro-2-quinolinyl)ethenyl]phenoxy]butanoate IUPAC Name: sodium 4-[3-[(E)-2-(5-chloroquinolin-2-yl)ethenyl]phenoxy]butanoate Traditional Name: sodium 4-[3-[(E)-2-(5-chloro-2-quinolyl)vinyl]phenoxy]butyrate Formula: C21H17ClNNaO3 MolecularWeight: 389.80735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCC(=O)[O-])C=CC2=NC3=C(C=C2)C(=CC=C3)Cl.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)OCCCC(=O)[O-])/C=C/C2=NC3=C(C=C2)C(=CC=C3)Cl.[Na+]

InChI

InChI=1S/C21H18ClNO3.Na/c22-19-6-2-7-20-18(19)12-11-16(23-20)10-9-15-4-1-5-17(14-15)26-13-3-8-21(24)25;/h1-2,4-7,9-12,14H,3,8,13H2,(H,24,25);/q;+1/p-1/b10-9+;