2-[[(E)-6-chloranylhex-5-enoyl]-phenyl-amino]propanoic acid

Systemtic Name: 2-[[(E)-6-chloranylhex-5-enoyl]-phenyl-amino]propanoic acid Openeye Name: 2-(N-[(E)-6-chlorohex-5-enoyl]anilino)propanoic acid CAS Name: 2-(N-[(E)-6-chloro-1-oxohex-5-enyl]anilino)propanoic acid IUPAC Name: 2-(N-[(E)-6-chlorohex-5-enoyl]anilino)propanoic acid Traditional Name: 2-(N-[(E)-6-chlorohex-5-enoyl]anilino)propionic acid Formula: C15H18ClNO3 MolecularWeight: 295.76132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC=CC=C1)C(=O)CCCC=CCl

Isomeric SMILES

CC(C(=O)O)N(C1=CC=CC=C1)C(=O)CCC/C=C/Cl

InChI

InChI=1S/C15H18ClNO3/c1-12(15(19)20)17(13-8-4-2-5-9-13)14(18)10-6-3-7-11-16/h2,4-5,7-9,11-12H,3,6,10H2,1H3,(H,19,20)/b11-7+