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

Systemtic Name: 4-[[(E)-2-[(5-bromanylfuran-2-yl)carbonylamino]-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]butanoate Openeye Name: 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-isopropoxyphenyl)prop-2-enoyl]amino]butanoate CAS Name: 4-[[(E)-2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxo-3-(4-propan-2-yloxyphenyl)prop-2-enyl]amino]butanoate IUPAC Name: 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(E)-2-[(5-bromo-2-furoyl)amino]-3-(4-isopropoxyphenyl)acryloyl]amino]butyrate Formula: C21H22BrN2O6- MolecularWeight: 478.31318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O6/c1-13(2)29-15-7-5-14(6-8-15)12-16(20(27)23-11-3-4-19(25)26)24-21(28)17-9-10-18(22)30-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)/p-1/b16-12+