2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]pentanoic acid

Systemtic Name: 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]pentanoic acid Openeye Name: 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]pentanoic acid CAS Name: 2-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]pentanoic acid IUPAC Name: 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]pentanoic acid Traditional Name: 2-[[(E)-3-(4-bromophenyl)acryloyl]amino]valeric acid Formula: C14H16BrNO3 MolecularWeight: 326.18574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)C=CC1=CC=C(C=C1)Br

Isomeric SMILES

CCCC(C(=O)O)NC(=O)/C=C/C1=CC=C(C=C1)Br

InChI

InChI=1S/C14H16BrNO3/c1-2-3-12(14(18)19)16-13(17)9-6-10-4-7-11(15)8-5-10/h4-9,12H,2-3H2,1H3,(H,16,17)(H,18,19)/b9-6+