2-[[3-[(2-carboxy-5-methoxycarbonyl-phenyl)carbonylamino]propylamino]oxymethyl]-4-methoxycarbonyl-benzoic acid

Systemtic Name: 2-[[3-[(2-carboxy-5-methoxycarbonyl-phenyl)carbonylamino]propylamino]oxymethyl]-4-methoxycarbonyl-benzoic acid Openeye Name: 2-[[3-[(2-carboxy-5-methoxycarbonyl-benzoyl)amino]propylamino]oxymethyl]-4-methoxycarbonyl-benzoic acid CAS Name: 2-[[3-[[(2-carboxy-5-methoxycarbonylphenyl)-oxomethyl]amino]propylamino]oxymethyl]-4-methoxycarbonylbenzoic acid IUPAC Name: 2-[[3-[(2-carboxy-5-methoxycarbonylbenzoyl)amino]propylamino]oxymethyl]-4-methoxycarbonylbenzoic acid Traditional Name: 4-carbomethoxy-2-[[3-[(5-carbomethoxy-2-carboxy-benzoyl)amino]propylamino]oxymethyl]benzoic acid Formula: C23H24N2O10 MolecularWeight: 488.44406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)O)CONCCCNC(=O)C2=C(C=CC(=C2)C(=O)OC)C(=O)O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)O)CONCCCNC(=O)C2=C(C=CC(=C2)C(=O)OC)C(=O)O

InChI

InChI=1S/C23H24N2O10/c1-33-22(31)13-4-6-16(20(27)28)15(10-13)12-35-25-9-3-8-24-19(26)18-11-14(23(32)34-2)5-7-17(18)21(29)30/h4-7,10-11,25H,3,8-9,12H2,1-2H3,(H,24,26)(H,27,28)(H,29,30)