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

Systemtic Name: 3-[2-chloranyl-6-oxidanyl-3-oxidanylidene-5-[(quinolin-8-ylamino)methyl]xanthen-9-yl]-4-methoxycarbonyl-benzoic acid Openeye Name: 3-[2-chloro-6-hydroxy-3-oxo-5-[(8-quinolylamino)methyl]xanthen-9-yl]-4-methoxycarbonyl-benzoic acid CAS Name: 3-[2-chloro-6-hydroxy-3-oxo-5-[(8-quinolinylamino)methyl]-9-xanthenyl]-4-methoxycarbonylbenzoic acid IUPAC Name: 3-[2-chloro-6-hydroxy-3-oxo-5-[(quinolin-8-ylamino)methyl]xanthen-9-yl]-4-methoxycarbonylbenzoic acid Traditional Name: 4-carbomethoxy-3-[2-chloro-6-hydroxy-3-keto-5-[(8-quinolylamino)methyl]xanthen-9-yl]benzoic acid Formula: C32H21ClN2O7 MolecularWeight: 580.97134

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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=CC=C6)O)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=CC=C6)O)Cl

InChI

InChI=1S/C32H21ClN2O7/c1-41-32(40)18-8-7-17(31(38)39)12-20(18)28-19-9-10-25(36)22(30(19)42-27-14-26(37)23(33)13-21(27)28)15-35-24-6-2-4-16-5-3-11-34-29(16)24/h2-14,35-36H,15H2,1H3,(H,38,39)