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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C(=O)O)NC(=O)/C=C/C1=CC=CC=C1C

InChI

InChI=1S/C14H17NO3/c1-3-12(14(17)18)15-13(16)9-8-11-7-5-4-6-10(11)2/h4-9,12H,3H2,1-2H3,(H,15,16)(H,17,18)/b9-8+