4-[[(E)-3-(3-bromophenyl)-2-(furan-2-ylcarbonylamino)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-[[(E)-3-(3-bromophenyl)-2-(furan-2-ylcarbonylamino)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-3-(3-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-3-(3-bromophenyl)-2-[[2-furanyl(oxo)methyl]amino]-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-3-(3-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(E)-3-(3-bromophenyl)-2-(2-furoylamino)acryloyl]amino]butyric acid Formula: C18H17BrN2O5 MolecularWeight: 421.24198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=C(C(=O)NCCCC(=O)O)NC(=O)C2=CC=CO2

Isomeric SMILES

C1=CC(=CC(=C1)Br)/C=C(\C(=O)NCCCC(=O)O)/NC(=O)C2=CC=CO2

InChI

InChI=1S/C18H17BrN2O5/c19-13-5-1-4-12(10-13)11-14(17(24)20-8-2-7-16(22)23)21-18(25)15-6-3-9-26-15/h1,3-6,9-11H,2,7-8H2,(H,20,24)(H,21,25)(H,22,23)/b14-11+