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

Systemtic Name: (3S)-3-azaniumyl-3-(3-ethoxy-4-phenylmethoxy-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(4-benzyloxy-3-ethoxy-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3-ethoxy-4-phenylmethoxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3-ethoxy-4-phenylmethoxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(4-benzoxy-3-ethoxy-phenyl)propionate Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)[O-])[NH3+])OCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](CC(=O)[O-])[NH3+])OCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO4/c1-2-22-17-10-14(15(19)11-18(20)21)8-9-16(17)23-12-13-6-4-3-5-7-13/h3-10,15H,2,11-12,19H2,1H3,(H,20,21)/t15-/m0/s1