3-[4-[[2-chloroethyl(ethyl)amino]methyl]phenyl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCl)CC1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CCN(CCCl)CC1=CC=C(C=C1)CCC(=O)O

InChI

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