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

Systemtic Name: (3S)-3-azaniumyl-3-(3-methoxy-4-phenethyloxy-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(3-methoxy-4-phenethyloxy-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3-methoxy-4-phenethyloxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3-methoxy-4-phenethyloxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(3-methoxy-4-phenethyloxy-phenyl)propionate Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC(=O)[O-])[NH3+])OCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H](CC(=O)[O-])[NH3+])OCCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO4/c1-22-17-11-14(15(19)12-18(20)21)7-8-16(17)23-10-9-13-5-3-2-4-6-13/h2-8,11,15H,9-10,12,19H2,1H3,(H,20,21)/t15-/m0/s1