2-[2-chloranyl-6-oxidanyl-3-oxidanylidene-5-[[[2-(phenylmethyl)quinolin-8-yl]amino]methyl]xanthen-9-yl]benzoic acid

Systemtic Name: 2-[2-chloranyl-6-oxidanyl-3-oxidanylidene-5-[[[2-(phenylmethyl)quinolin-8-yl]amino]methyl]xanthen-9-yl]benzoic acid Openeye Name: 2-[5-[[(2-benzyl-8-quinolyl)amino]methyl]-2-chloro-6-hydroxy-3-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[2-chloro-6-hydroxy-3-oxo-5-[[[2-(phenylmethyl)-8-quinolinyl]amino]methyl]-9-xanthenyl]benzoic acid IUPAC Name: 2-[5-[[(2-benzylquinolin-8-yl)amino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[5-[[(2-benzyl-8-quinolyl)amino]methyl]-2-chloro-6-hydroxy-3-keto-xanthen-9-yl]benzoic acid Formula: C37H25ClN2O5 MolecularWeight: 613.0578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(C=CC=C3NCC4=C(C=CC5=C4OC6=CC(=O)C(=CC6=C5C7=CC=CC=C7C(=O)O)Cl)O)C=C2

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(C=CC=C3NCC4=C(C=CC5=C4OC6=CC(=O)C(=CC6=C5C7=CC=CC=C7C(=O)O)Cl)O)C=C2

InChI

InChI=1S/C37H25ClN2O5/c38-29-18-27-33(19-32(29)42)45-36-26(34(27)24-10-4-5-11-25(24)37(43)44)15-16-31(41)28(36)20-39-30-12-6-9-22-13-14-23(40-35(22)30)17-21-7-2-1-3-8-21/h1-16,18-19,39,41H,17,20H2,(H,43,44)