7-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]heptanoic acid

Systemtic Name: 7-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]heptanoic acid Openeye Name: 7-[[(E)-3-(o-tolyl)prop-2-enoyl]amino]heptanoic acid CAS Name: 7-[[(E)-3-(2-methylphenyl)-1-oxoprop-2-enyl]amino]heptanoic acid IUPAC Name: 7-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]heptanoic acid Traditional Name: 7-[[(E)-3-(o-tolyl)acryloyl]amino]enanthic acid Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)NCCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3/c1-14-8-5-6-9-15(14)11-12-16(19)18-13-7-3-2-4-10-17(20)21/h5-6,8-9,11-12H,2-4,7,10,13H2,1H3,(H,18,19)(H,20,21)/b12-11+