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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3/c1-14-7-6-8-15(13-14)10-11-16(19)18-12-5-3-2-4-9-17(20)21/h6-8,10-11,13H,2-5,9,12H2,1H3,(H,18,19)(H,20,21)/b11-10+