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

Systemtic Name: 6-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[[(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:

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

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NCCCCCC(=O)O)Br

InChI

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