2-azaniumyl-3-[3,5-dimethyl-4-[4-oxidanyl-3-[(6-oxidanylidene-1H-pyridin-3-yl)methyl]phenoxy]phenyl]propanoate

Systemtic Name: 2-azaniumyl-3-[3,5-dimethyl-4-[4-oxidanyl-3-[(6-oxidanylidene-1H-pyridin-3-yl)methyl]phenoxy]phenyl]propanoate Openeye Name: 2-azaniumyl-3-[4-[4-hydroxy-3-[(6-oxo-1H-pyridin-3-yl)methyl]phenoxy]-3,5-dimethyl-phenyl]propanoate CAS Name: 2-ammonio-3-[4-[4-hydroxy-3-[(6-oxo-1H-pyridin-3-yl)methyl]phenoxy]-3,5-dimethylphenyl]propanoate IUPAC Name: 2-azaniumyl-3-[4-[4-hydroxy-3-[(6-oxo-1H-pyridin-3-yl)methyl]phenoxy]-3,5-dimethylphenyl]propanoate Traditional Name: 2-ammonio-3-[4-[4-hydroxy-3-[(6-keto-1H-pyridin-3-yl)methyl]phenoxy]-3,5-dimethyl-phenyl]propionate Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)CC3=CNC(=O)C=C3)C)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)CC3=CNC(=O)C=C3)C)CC(C(=O)[O-])[NH3+]

InChI

InChI=1S/C23H24N2O5/c1-13-7-16(10-19(24)23(28)29)8-14(2)22(13)30-18-4-5-20(26)17(11-18)9-15-3-6-21(27)25-12-15/h3-8,11-12,19,26H,9-10,24H2,1-2H3,(H,25,27)(H,28,29)