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

Systemtic Name: 3-[6-azanyl-2-chloranyl-5-[[(2-methoxycarbonylquinolin-8-yl)amino]methyl]-3-oxidanylidene-xanthen-9-yl]-4-methoxycarbonyl-benzoic acid Openeye Name: 3-[6-amino-2-chloro-5-[[(2-methoxycarbonyl-8-quinolyl)amino]methyl]-3-oxo-xanthen-9-yl]-4-methoxycarbonyl-benzoic acid CAS Name: 3-[6-amino-2-chloro-5-[[(2-methoxycarbonyl-8-quinolinyl)amino]methyl]-3-oxo-9-xanthenyl]-4-methoxycarbonylbenzoic acid IUPAC Name: 3-[6-amino-2-chloro-5-[[(2-methoxycarbonylquinolin-8-yl)amino]methyl]-3-oxoxanthen-9-yl]-4-methoxycarbonylbenzoic acid Traditional Name: 3-[6-amino-5-[[(2-carbomethoxy-8-quinolyl)amino]methyl]-2-chloro-3-keto-xanthen-9-yl]-4-carbomethoxy-benzoic acid Formula: C34H24ClN3O8 MolecularWeight: 638.02266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=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)N)Cl

Isomeric SMILES

COC(=O)C1=C(C=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)N)Cl

InChI

InChI=1S/C34H24ClN3O8/c1-44-33(42)18-8-6-17(32(40)41)12-20(18)29-19-9-10-24(36)22(31(19)46-28-14-27(39)23(35)13-21(28)29)15-37-25-5-3-4-16-7-11-26(34(43)45-2)38-30(16)25/h3-14,37H,15,36H2,1-2H3,(H,40,41)