3-[[(E)-2-[(5-bromanylfuran-2-yl)carbonylamino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate

Systemtic Name: 3-[[(E)-2-[(5-bromanylfuran-2-yl)carbonylamino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate Openeye Name: 3-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]propanoate IUPAC Name: 3-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-2-[(5-bromo-2-furoyl)amino]-3-(4-methoxyphenyl)acryloyl]amino]propionate Formula: C18H16BrN2O6- MolecularWeight: 436.23344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C(=O)NCCC(=O)[O-])NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C(=O)NCCC(=O)[O-])/NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C18H17BrN2O6/c1-26-12-4-2-11(3-5-12)10-13(17(24)20-9-8-16(22)23)21-18(25)14-6-7-15(19)27-14/h2-7,10H,8-9H2,1H3,(H,20,24)(H,21,25)(H,22,23)/p-1/b13-10+