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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC(=CC2=CC=C(C=C2)Br)C(=O)NCCCC(=O)O

Isomeric SMILES

C1=COC(=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Br)/C(=O)NCCCC(=O)O

InChI

InChI=1S/C18H17BrN2O5/c19-13-7-5-12(6-8-13)11-14(17(24)20-9-1-4-16(22)23)21-18(25)15-3-2-10-26-15/h2-3,5-8,10-11H,1,4,9H2,(H,20,24)(H,21,25)(H,22,23)/b14-11-