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

Systemtic Name: 4-[[(E)-2-[(5-bromanylfuran-2-yl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]butanoate Openeye Name: 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenyl-prop-2-enoyl]amino]butanoate CAS Name: 4-[[(E)-2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]butanoate IUPAC Name: 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoyl]amino]butanoate Traditional Name: 4-[[(E)-2-[(5-bromo-2-furoyl)amino]-3-phenyl-acryloyl]amino]butyrate Formula: C18H16BrN2O5- MolecularWeight: 420.23404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O5/c19-15-9-8-14(26-15)18(25)21-13(11-12-5-2-1-3-6-12)17(24)20-10-4-7-16(22)23/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,24)(H,21,25)(H,22,23)/p-1/b13-11+