(2S)-2-acetamido-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoic acid

Systemtic Name: (2S)-2-acetamido-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoic acid Openeye Name: (2S)-2-acetamido-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoic acid CAS Name: (2S)-2-acetamido-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-acetamido-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoic acid Traditional Name: (2S)-2-acetamido-3-[4-(4-chlorobenzyl)oxyphenyl]propionic acid Formula: C18H18ClNO4 MolecularWeight: 347.79282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C18H18ClNO4/c1-12(21)20-17(18(22)23)10-13-4-8-16(9-5-13)24-11-14-2-6-15(19)7-3-14/h2-9,17H,10-11H2,1H3,(H,20,21)(H,22,23)/t17-/m0/s1