4-[4-[(4-chloranyl-2-methoxy-phenyl)methylamino]phenyl]butanoic acid

Systemtic Name: 4-[4-[(4-chloranyl-2-methoxy-phenyl)methylamino]phenyl]butanoic acid Openeye Name: 4-[4-[(4-chloro-2-methoxy-phenyl)methylamino]phenyl]butanoic acid CAS Name: 4-[4-[(4-chloro-2-methoxyphenyl)methylamino]phenyl]butanoic acid IUPAC Name: 4-[4-[(4-chloro-2-methoxyphenyl)methylamino]phenyl]butanoic acid Traditional Name: 4-[4-[(4-chloro-2-methoxy-benzyl)amino]phenyl]butyric acid Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)CNC2=CC=C(C=C2)CCCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)CNC2=CC=C(C=C2)CCCC(=O)O

InChI

InChI=1S/C18H20ClNO3/c1-23-17-11-15(19)8-7-14(17)12-20-16-9-5-13(6-10-16)3-2-4-18(21)22/h5-11,20H,2-4,12H2,1H3,(H,21,22)