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

Systemtic Name: 2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[(E)-3-(3-bromophenyl)acryloyl]amino]-4-methyl-valeric acid Formula: C15H18BrNO3 MolecularWeight: 340.21232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrNO3/c1-10(2)8-13(15(19)20)17-14(18)7-6-11-4-3-5-12(16)9-11/h3-7,9-10,13H,8H2,1-2H3,(H,17,18)(H,19,20)/b7-6+