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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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