(E)-2-(acetamidomethyl)-3-(3-methylphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(acetamidomethyl)-3-(3-methylphenyl)prop-2-enoic acid Openeye Name: (E)-2-(acetamidomethyl)-3-(m-tolyl)prop-2-enoic acid CAS Name: (E)-2-(acetamidomethyl)-3-(3-methylphenyl)-2-propenoic acid IUPAC Name: (E)-2-(acetamidomethyl)-3-(3-methylphenyl)prop-2-enoic acid Traditional Name: (E)-2-(acetamidomethyl)-3-(m-tolyl)acrylic acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC(=C1)/C=C(\CNC(=O)C)/C(=O)O

InChI

InChI=1S/C13H15NO3/c1-9-4-3-5-11(6-9)7-12(13(16)17)8-14-10(2)15/h3-7H,8H2,1-2H3,(H,14,15)(H,16,17)/b12-7+