2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-4-[2-(pyridin-2-ylmethylamino)ethylamino]benzoic acid

Systemtic Name: 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-4-[2-(pyridin-2-ylmethylamino)ethylamino]benzoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-4-[2-(2-pyridylmethylamino)ethylamino]benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-4-[2-(2-pyridinylmethylamino)ethylamino]benzoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-4-[2-(pyridin-2-ylmethylamino)ethylamino]benzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-4-[2-(2-pyridylmethylamino)ethylamino]benzoic acid Formula: C28H23N3O5 MolecularWeight: 481.49932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNCCNC2=CC(=C(C=C2)C(=O)O)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O

Isomeric SMILES

C1=CC=NC(=C1)CNCCNC2=CC(=C(C=C2)C(=O)O)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O

InChI

InChI=1S/C28H23N3O5/c32-19-5-8-22-25(14-19)36-26-15-20(33)6-9-23(26)27(22)24-13-17(4-7-21(24)28(34)35)31-12-11-29-16-18-3-1-2-10-30-18/h1-10,13-15,29,31-32H,11-12,16H2,(H,34,35)