3-azaniumyl-3-(3-ethoxy-4-propan-2-yloxy-phenyl)propanoate

Systemtic Name: 3-azaniumyl-3-(3-ethoxy-4-propan-2-yloxy-phenyl)propanoate Openeye Name: 3-azaniumyl-3-(3-ethoxy-4-isopropoxy-phenyl)propanoate CAS Name: 3-ammonio-3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate IUPAC Name: 3-azaniumyl-3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate Traditional Name: 3-ammonio-3-(3-ethoxy-4-isopropoxy-phenyl)propionate Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4/c1-4-18-13-7-10(11(15)8-14(16)17)5-6-12(13)19-9(2)3/h5-7,9,11H,4,8,15H2,1-3H3,(H,16,17)