6-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 6-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[[(E)-3-(o-tolyl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-[[(E)-3-(2-methylphenyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[[(E)-3-(o-tolyl)acryloyl]amino]hexanoic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)NCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-13-7-4-5-8-14(13)10-11-15(18)17-12-6-2-3-9-16(19)20/h4-5,7-8,10-11H,2-3,6,9,12H2,1H3,(H,17,18)(H,19,20)/b11-10+