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

Systemtic Name: 2-[2-chloranyl-5-[[(2-methylquinolin-8-yl)amino]methyl]-6-oxidanyl-3-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[2-chloro-6-hydroxy-5-[[(2-methyl-8-quinolyl)amino]methyl]-3-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[2-chloro-6-hydroxy-5-[[(2-methyl-8-quinolinyl)amino]methyl]-3-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[2-chloro-6-hydroxy-5-[[(2-methylquinolin-8-yl)amino]methyl]-3-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[2-chloro-6-hydroxy-3-keto-5-[[(2-methyl-8-quinolyl)amino]methyl]xanthen-9-yl]benzoic acid Formula: C31H21ClN2O5 MolecularWeight: 536.96184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NCC3=C(C=CC4=C3OC5=CC(=O)C(=CC5=C4C6=CC=CC=C6C(=O)O)Cl)O)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NCC3=C(C=CC4=C3OC5=CC(=O)C(=CC5=C4C6=CC=CC=C6C(=O)O)Cl)O)C=C1

InChI

InChI=1S/C31H21ClN2O5/c1-16-9-10-17-5-4-8-24(29(17)34-16)33-15-22-25(35)12-11-20-28(18-6-2-3-7-19(18)31(37)38)21-13-23(32)26(36)14-27(21)39-30(20)22/h2-14,33,35H,15H2,1H3,(H,37,38)