sodium 2-[3-[(Z)-1-(7-chloranylquinolin-2-yl)prop-1-en-2-yl]phenoxy]propanoate

Systemtic Name: sodium 2-[3-[(Z)-1-(7-chloranylquinolin-2-yl)prop-1-en-2-yl]phenoxy]propanoate Openeye Name: sodium 2-[3-[(Z)-2-(7-chloro-2-quinolyl)-1-methyl-vinyl]phenoxy]propanoate CAS Name: sodium 2-[3-[(Z)-1-(7-chloro-2-quinolinyl)prop-1-en-2-yl]phenoxy]propanoate IUPAC Name: sodium 2-[3-[(Z)-1-(7-chloroquinolin-2-yl)prop-1-en-2-yl]phenoxy]propanoate Traditional Name: sodium 2-[3-[(Z)-2-(7-chloro-2-quinolyl)-1-methyl-vinyl]phenoxy]propionate Formula: C21H17ClNNaO3 MolecularWeight: 389.80735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=CC(=C1)C(=CC2=NC3=C(C=CC(=C3)Cl)C=C2)C.[Na+]

Isomeric SMILES

CC(C(=O)[O-])OC1=CC=CC(=C1)/C(=C\C2=NC3=C(C=CC(=C3)Cl)C=C2)/C.[Na+]

InChI

InChI=1S/C21H18ClNO3.Na/c1-13(16-4-3-5-19(11-16)26-14(2)21(24)25)10-18-9-7-15-6-8-17(22)12-20(15)23-18;/h3-12,14H,1-2H3,(H,24,25);/q;+1/p-1/b13-10-;