2-azanyl-3-[4-chloranyl-3-(3-phenylphenoxy)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-chloranyl-3-(3-phenylphenoxy)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-chloro-3-(3-phenylphenoxy)phenyl]propanoic acid CAS Name: 2-amino-3-[4-chloro-3-(3-phenylphenoxy)phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-chloro-3-(3-phenylphenoxy)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-chloro-3-(3-phenylphenoxy)phenyl]propionic acid Formula: C21H18ClNO3 MolecularWeight: 367.82552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CC(C(=O)O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)OC3=C(C=CC(=C3)CC(C(=O)O)N)Cl

InChI

InChI=1S/C21H18ClNO3/c22-18-10-9-14(11-19(23)21(24)25)12-20(18)26-17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-10,12-13,19H,11,23H2,(H,24,25)