3-[4-(4-chloranylbutan-2-ylamino)phenyl]propanoic acid

Systemtic Name: 3-[4-(4-chloranylbutan-2-ylamino)phenyl]propanoic acid Openeye Name: 3-[4-[(3-chloro-1-methyl-propyl)amino]phenyl]propanoic acid CAS Name: 3-[4-(4-chlorobutan-2-ylamino)phenyl]propanoic acid IUPAC Name: 3-[4-(4-chlorobutan-2-ylamino)phenyl]propanoic acid Traditional Name: 3-[4-[(3-chloro-1-methyl-propyl)amino]phenyl]propionic acid Formula: C13H18ClNO2 MolecularWeight: 255.74052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClNO2/c1-10(8-9-14)15-12-5-2-11(3-6-12)4-7-13(16)17/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,16,17)