4-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]butanoate

Systemtic Name: 4-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]butanoate Openeye Name: 4-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]butanoate CAS Name: 4-[[(E)-2-benzamido-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]butanoate IUPAC Name: 4-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(E)-2-benzamido-3-(4-bromophenyl)acryloyl]amino]butyrate Formula: C20H18BrN2O4- MolecularWeight: 430.27192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Br)C(=O)NCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C20H19BrN2O4/c21-16-10-8-14(9-11-16)13-17(20(27)22-12-4-7-18(24)25)23-19(26)15-5-2-1-3-6-15/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,27)(H,23,26)(H,24,25)/p-1/b17-13+