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

Systemtic Name: (3S)-3-azaniumyl-3-[3-methoxy-4-(3-phenylpropoxy)phenyl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[3-methoxy-4-(3-phenylpropoxy)phenyl]propanoate CAS Name: (3S)-3-ammonio-3-[3-methoxy-4-(3-phenylpropoxy)phenyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[3-methoxy-4-(3-phenylpropoxy)phenyl]propanoate Traditional Name: (3S)-3-ammonio-3-[3-methoxy-4-(3-phenylpropoxy)phenyl]propionate Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC(=O)[O-])[NH3+])OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H](CC(=O)[O-])[NH3+])OCCCC2=CC=CC=C2

InChI

InChI=1S/C19H23NO4/c1-23-18-12-15(16(20)13-19(21)22)9-10-17(18)24-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16H,5,8,11,13,20H2,1H3,(H,21,22)/t16-/m0/s1