3-(1-azanyl-1-oxidanidyl-3-oxidanylidene-2H-indol-1-ium-2-yl)-3-(4-cyclopentyloxy-3-ethoxy-phenyl)propanoic acid

Systemtic Name: 3-(1-azanyl-1-oxidanidyl-3-oxidanylidene-2H-indol-1-ium-2-yl)-3-(4-cyclopentyloxy-3-ethoxy-phenyl)propanoic acid Openeye Name: 3-(1-amino-1-oxido-3-oxo-indolin-1-ium-2-yl)-3-[4-(cyclopentoxy)-3-ethoxy-phenyl]propanoic acid CAS Name: 3-(1-amino-1-oxido-3-oxo-2H-indol-1-ium-2-yl)-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid IUPAC Name: 3-(1-amino-1-oxido-3-oxo-2H-indol-1-ium-2-yl)-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid Traditional Name: 3-(1-amino-3-keto-1-oxido-indolin-1-ium-2-yl)-3-[4-(cyclopentoxy)-3-ethoxy-phenyl]propionic acid Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)O)C2C(=O)C3=CC=CC=C3[N+]2(N)[O-])OC4CCCC4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)O)C2C(=O)C3=CC=CC=C3[N+]2(N)[O-])OC4CCCC4

InChI

InChI=1S/C24H28N2O6/c1-2-31-21-13-15(11-12-20(21)32-16-7-3-4-8-16)18(14-22(27)28)23-24(29)17-9-5-6-10-19(17)26(23,25)30/h5-6,9-13,16,18,23H,2-4,7-8,14,25H2,1H3,(H,27,28)