4-[[(E)-2-[(4-bromophenyl)carbonylamino]-3-(furan-2-yl)prop-2-enoyl]amino]butanoate

Systemtic Name: 4-[[(E)-2-[(4-bromophenyl)carbonylamino]-3-(furan-2-yl)prop-2-enoyl]amino]butanoate Openeye Name: 4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(2-furyl)prop-2-enoyl]amino]butanoate CAS Name: 4-[[(E)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-(2-furanyl)-1-oxoprop-2-enyl]amino]butanoate IUPAC Name: 4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(E)-2-[(4-bromobenzoyl)amino]-3-(2-furyl)acryloyl]amino]butyrate Formula: C18H16BrN2O5- MolecularWeight: 420.23404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O5/c19-13-7-5-12(6-8-13)17(24)21-15(11-14-3-2-10-26-14)18(25)20-9-1-4-16(22)23/h2-3,5-8,10-11H,1,4,9H2,(H,20,25)(H,21,24)(H,22,23)/p-1/b15-11+