2-[2-chloranyl-5-[[(2-methoxycarbonylquinolin-8-yl)amino]methyl]-6-oxidanyl-3-oxidanylidene-xanthen-9-yl]-4-methoxycarbonyl-benzoic acid

Systemtic Name: 2-[2-chloranyl-5-[[(2-methoxycarbonylquinolin-8-yl)amino]methyl]-6-oxidanyl-3-oxidanylidene-xanthen-9-yl]-4-methoxycarbonyl-benzoic acid Openeye Name: 2-[2-chloro-6-hydroxy-5-[[(2-methoxycarbonyl-8-quinolyl)amino]methyl]-3-oxo-xanthen-9-yl]-4-methoxycarbonyl-benzoic acid CAS Name: 2-[2-chloro-6-hydroxy-5-[[(2-methoxycarbonyl-8-quinolinyl)amino]methyl]-3-oxo-9-xanthenyl]-4-methoxycarbonylbenzoic acid IUPAC Name: 2-[2-chloro-6-hydroxy-5-[[(2-methoxycarbonylquinolin-8-yl)amino]methyl]-3-oxoxanthen-9-yl]-4-methoxycarbonylbenzoic acid Traditional Name: 4-carbomethoxy-2-[5-[[(2-carbomethoxy-8-quinolyl)amino]methyl]-2-chloro-6-hydroxy-3-keto-xanthen-9-yl]benzoic acid Formula: C34H23ClN2O9 MolecularWeight: 639.00742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)O)C2=C3C=C(C(=O)C=C3OC4=C2C=CC(=C4CNC5=CC=CC6=C5N=C(C=C6)C(=O)OC)O)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)O)C2=C3C=C(C(=O)C=C3OC4=C2C=CC(=C4CNC5=CC=CC6=C5N=C(C=C6)C(=O)OC)O)Cl

InChI

InChI=1S/C34H23ClN2O9/c1-44-33(42)17-6-8-18(32(40)41)20(12-17)29-19-9-11-26(38)22(31(19)46-28-14-27(39)23(35)13-21(28)29)15-36-24-5-3-4-16-7-10-25(34(43)45-2)37-30(16)24/h3-14,36,38H,15H2,1-2H3,(H,40,41)