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

Systemtic Name: 2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[(E)-3-(m-tolyl)prop-2-enoyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[(E)-3-(m-tolyl)acryloyl]amino]propionic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-9-3-2-4-10(7-9)5-6-12(16)14-11(8-15)13(17)18/h2-7,11,15H,8H2,1H3,(H,14,16)(H,17,18)/b6-5+