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

Systemtic Name: 2-[6-azanyl-2-chloranyl-5-[[(2-ethanoylquinolin-8-yl)amino]methyl]-3-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[5-[[(2-acetyl-8-quinolyl)amino]methyl]-6-amino-2-chloro-3-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[5-[[(2-acetyl-8-quinolinyl)amino]methyl]-6-amino-2-chloro-3-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[5-[[(2-acetylquinolin-8-yl)amino]methyl]-6-amino-2-chloro-3-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[5-[[(2-acetyl-8-quinolyl)amino]methyl]-6-amino-2-chloro-3-keto-xanthen-9-yl]benzoic acid Formula: C32H22ClN3O5 MolecularWeight: 563.98718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H22ClN3O5/c1-16(37)25-12-9-17-5-4-8-26(30(17)36-25)35-15-22-24(34)11-10-20-29(18-6-2-3-7-19(18)32(39)40)21-13-23(33)27(38)14-28(21)41-31(20)22/h2-14,35H,15,34H2,1H3,(H,39,40)