sodium 2-[4-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]phenyl]ethanoate

Systemtic Name: sodium 2-[4-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]phenyl]ethanoate Openeye Name: sodium 2-[4-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]phenyl]acetate CAS Name: sodium 2-[4-[[(E)-3-(3-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]phenyl]acetate IUPAC Name: sodium 2-[4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]phenyl]acetate Traditional Name: sodium 2-[4-[[(E)-3-(3-methoxy-4-propoxy-phenyl)acryloyl]amino]phenyl]acetate Formula: C21H22NNaO5 MolecularWeight: 391.39285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)CC(=O)[O-])OC.[Na+]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)CC(=O)[O-])OC.[Na+]

InChI

InChI=1S/C21H23NO5.Na/c1-3-12-27-18-10-6-15(13-19(18)26-2)7-11-20(23)22-17-8-4-16(5-9-17)14-21(24)25;/h4-11,13H,3,12,14H2,1-2H3,(H,22,23)(H,24,25);/q;+1/p-1/b11-7+;