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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C=CC1=CC(=CC=C1)C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)/C=C/C1=CC(=CC=C1)C

InChI

InChI=1S/C16H21NO3/c1-3-4-8-14(16(19)20)17-15(18)10-9-13-7-5-6-12(2)11-13/h5-7,9-11,14H,3-4,8H2,1-2H3,(H,17,18)(H,19,20)/b10-9+