(3S)-3-azaniumyl-3-(3-methoxy-4-phenylmethoxy-phenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(3-methoxy-4-phenylmethoxy-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(4-benzyloxy-3-methoxy-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3-methoxy-4-phenylmethoxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3-methoxy-4-phenylmethoxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(4-benzoxy-3-methoxy-phenyl)propionate Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC(=O)[O-])[NH3+])OCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H](CC(=O)[O-])[NH3+])OCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO4/c1-21-16-9-13(14(18)10-17(19)20)7-8-15(16)22-11-12-5-3-2-4-6-12/h2-9,14H,10-11,18H2,1H3,(H,19,20)/t14-/m0/s1