2-[3-chloranyl-4-(2-methylprop-2-enylamino)phenyl]propanoic acid

Systemtic Name: 2-[3-chloranyl-4-(2-methylprop-2-enylamino)phenyl]propanoic acid Openeye Name: 2-[3-chloro-4-(2-methylallylamino)phenyl]propanoic acid CAS Name: 2-[3-chloro-4-(2-methylprop-2-enylamino)phenyl]propanoic acid IUPAC Name: 2-[3-chloro-4-(2-methylprop-2-enylamino)phenyl]propanoic acid Traditional Name: 2-[3-chloro-4-(2-methylallylamino)phenyl]propionic acid Formula: C13H16ClNO2 MolecularWeight: 253.72464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)NCC(=C)C)Cl)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)NCC(=C)C)Cl)C(=O)O

InChI

InChI=1S/C13H16ClNO2/c1-8(2)7-15-12-5-4-10(6-11(12)14)9(3)13(16)17/h4-6,9,15H,1,7H2,2-3H3,(H,16,17)