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

Systemtic Name: 4-[2-[[(E)-2-methylpent-2-enoyl]amino]ethyl]benzoic acid Openeye Name: 4-[2-[[(E)-2-methylpent-2-enoyl]amino]ethyl]benzoic acid CAS Name: 4-[2-[[(E)-2-methyl-1-oxopent-2-enyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[[(E)-2-methylpent-2-enoyl]amino]ethyl]benzoic acid Traditional Name: 4-[2-[[(E)-2-methylpent-2-enoyl]amino]ethyl]benzoic acid Formula: C15H19NO3 MolecularWeight: 261.31626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)C(=O)NCCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC/C=C(\C)/C(=O)NCCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H19NO3/c1-3-4-11(2)14(17)16-10-9-12-5-7-13(8-6-12)15(18)19/h4-8H,3,9-10H2,1-2H3,(H,16,17)(H,18,19)/b11-4+