4-[3-carboxy-4-(2-dimethylaminoethyloxycarbonyl)phenyl]carbonyl-2-(2-dimethylaminoethyloxycarbonyl)benzoic acid

Systemtic Name: 4-[3-carboxy-4-(2-dimethylaminoethyloxycarbonyl)phenyl]carbonyl-2-(2-dimethylaminoethyloxycarbonyl)benzoic acid Openeye Name: 4-[3-carboxy-4-(2-dimethylaminoethyloxycarbonyl)benzoyl]-2-(2-dimethylaminoethyloxycarbonyl)benzoic acid CAS Name: 4-[[3-carboxy-4-[2-dimethylaminoethyloxy(oxo)methyl]phenyl]-oxomethyl]-2-[2-dimethylaminoethyloxy(oxo)methyl]benzoic acid IUPAC Name: 4-[3-carboxy-4-(2-dimethylaminoethyloxycarbonyl)benzoyl]-2-(2-dimethylaminoethyloxycarbonyl)benzoic acid Traditional Name: 4-[3-carboxy-4-(2-dimethylaminoethyloxycarbonyl)benzoyl]-2-(2-dimethylaminoethyloxycarbonyl)benzoic acid Formula: C25H28N2O9 MolecularWeight: 500.49782

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)OCCN(C)C)C(=O)O

Isomeric SMILES

CN(C)CCOC(=O)C1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)OCCN(C)C)C(=O)O

InChI

InChI=1S/C25H28N2O9/c1-26(2)9-11-35-24(33)18-8-6-15(13-19(18)23(31)32)21(28)16-5-7-17(22(29)30)20(14-16)25(34)36-12-10-27(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,29,30)(H,31,32)