3-[4-[2-chloroethyl(propan-2-yl)amino]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-chloroethyl(propan-2-yl)amino]phenyl]propanoic acid Openeye Name: 3-[4-[2-chloroethyl(isopropyl)amino]phenyl]propanoic acid CAS Name: 3-[4-[2-chloroethyl(propan-2-yl)amino]phenyl]propanoic acid IUPAC Name: 3-[4-[2-chloroethyl(propan-2-yl)amino]phenyl]propanoic acid Traditional Name: 3-[4-[2-chloroethyl(isopropyl)amino]phenyl]propionic acid Formula: C14H20ClNO2 MolecularWeight: 269.7671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClNO2/c1-11(2)16(10-9-15)13-6-3-12(4-7-13)5-8-14(17)18/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,18)