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

Systemtic Name: 4-methyl-3-[[(E)-2-methylpent-2-enoyl]amino]benzoic acid Openeye Name: 4-methyl-3-[[(E)-2-methylpent-2-enoyl]amino]benzoic acid CAS Name: 4-methyl-3-[[(E)-2-methyl-1-oxopent-2-enyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[(E)-2-methylpent-2-enoyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[(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=CC(=C1)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c1-4-5-10(3)13(16)15-12-8-11(14(17)18)7-6-9(12)2/h5-8H,4H2,1-3H3,(H,15,16)(H,17,18)/b10-5+