3-methyl-4-[[(E)-2-methylpent-2-enoyl]amino]benzoic acid

Systemtic Name: 3-methyl-4-[[(E)-2-methylpent-2-enoyl]amino]benzoic acid Openeye Name: 3-methyl-4-[[(E)-2-methylpent-2-enoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[(E)-2-methyl-1-oxopent-2-enyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[(E)-2-methylpent-2-enoyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[(E)-2-methylpent-2-enoyl]amino]benzoic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)C(=O)NC1=C(C=C(C=C1)C(=O)O)C

Isomeric SMILES

CC/C=C(\C)/C(=O)NC1=C(C=C(C=C1)C(=O)O)C

InChI

InChI=1S/C14H17NO3/c1-4-5-9(2)13(16)15-12-7-6-11(14(17)18)8-10(12)3/h5-8H,4H2,1-3H3,(H,15,16)(H,17,18)/b9-5+