3-[4-[(4-chlorophenyl)methylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[(4-chlorophenyl)methylamino]phenyl]propanoic acid Openeye Name: 3-[4-[(4-chlorophenyl)methylamino]phenyl]propanoic acid CAS Name: 3-[4-[(4-chlorophenyl)methylamino]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-chlorophenyl)methylamino]phenyl]propanoic acid Traditional Name: 3-[4-[(4-chlorobenzyl)amino]phenyl]propionic acid Formula: C16H16ClNO2 MolecularWeight: 289.75674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H16ClNO2/c17-14-6-1-13(2-7-14)11-18-15-8-3-12(4-9-15)5-10-16(19)20/h1-4,6-9,18H,5,10-11H2,(H,19,20)