3-[[3-oxidanylidene-3-(4-propoxyphenyl)propyl]azaniumyl]-3-phenyl-propanoate

Systemtic Name: 3-[[3-oxidanylidene-3-(4-propoxyphenyl)propyl]azaniumyl]-3-phenyl-propanoate Openeye Name: 3-[[3-oxo-3-(4-propoxyphenyl)propyl]ammonio]-3-phenyl-propanoate CAS Name: 3-[[3-oxo-3-(4-propoxyphenyl)propyl]ammonio]-3-phenylpropanoate IUPAC Name: 3-[[3-oxo-3-(4-propoxyphenyl)propyl]azaniumyl]-3-phenylpropanoate Traditional Name: 3-[[3-keto-3-(4-propoxyphenyl)propyl]ammonio]-3-phenyl-propionate Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(CC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(CC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C21H25NO4/c1-2-14-26-18-10-8-17(9-11-18)20(23)12-13-22-19(15-21(24)25)16-6-4-3-5-7-16/h3-11,19,22H,2,12-15H2,1H3,(H,24,25)