2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 2-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]hexanoic acid CAS Name: 2-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 2-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 2-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]hexanoic acid Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO3/c1-3-4-5-14(16(20)21)18-15(19)9-8-12-7-6-11(2)10-13(12)17/h6-10,14H,3-5H2,1-2H3,(H,18,19)(H,20,21)/b9-8+