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

Systemtic Name: 3-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 3-[[(E)-3-(o-tolyl)prop-2-enoyl]amino]butanoic acid CAS Name: 3-[[(E)-3-(2-methylphenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 3-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 3-[[(E)-3-(o-tolyl)acryloyl]amino]butyric acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)NC(C)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c1-10-5-3-4-6-12(10)7-8-13(16)15-11(2)9-14(17)18/h3-8,11H,9H2,1-2H3,(H,15,16)(H,17,18)/b8-7+