6-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 6-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-[[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[[(E)-3-(2,4-dimethylphenyl)acryloyl]amino]hexanoic acid Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3/c1-13-7-8-15(14(2)12-13)9-10-16(19)18-11-5-3-4-6-17(20)21/h7-10,12H,3-6,11H2,1-2H3,(H,18,19)(H,20,21)/b10-9+