(3S)-3-azaniumyl-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoate CAS Name: (3S)-3-ammonio-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoate Traditional Name: (3S)-3-ammonio-3-[4-(4-chlorobenzyl)oxyphenyl]propionate Formula: C16H16ClNO3 MolecularWeight: 305.75614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=CC=C(C=C2)C(CC(=O)[O-])[NH3+])Cl

Isomeric SMILES

C1=CC(=CC=C1COC2=CC=C(C=C2)[C@H](CC(=O)[O-])[NH3+])Cl

InChI

InChI=1S/C16H16ClNO3/c17-13-5-1-11(2-6-13)10-21-14-7-3-12(4-8-14)15(18)9-16(19)20/h1-8,15H,9-10,18H2,(H,19,20)/t15-/m0/s1