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

Systemtic Name: 3-[[(E)-2-[(5-bromanylfuran-2-yl)carbonylamino]-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]propanoate Openeye Name: 3-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-isopropoxyphenyl)prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxo-3-(4-propan-2-yloxyphenyl)prop-2-enyl]amino]propanoate IUPAC Name: 3-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-2-[(5-bromo-2-furoyl)amino]-3-(4-isopropoxyphenyl)acryloyl]amino]propionate Formula: C20H20BrN2O6- MolecularWeight: 464.2866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C=C(C(=O)NCCC(=O)[O-])NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)/C=C(\C(=O)NCCC(=O)[O-])/NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C20H21BrN2O6/c1-12(2)28-14-5-3-13(4-6-14)11-15(19(26)22-10-9-18(24)25)23-20(27)16-7-8-17(21)29-16/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)/p-1/b15-11+