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

Systemtic Name: 2-[[3-[[2-carboxy-5-(3-oxidanylprop-2-ynoyl)phenyl]carbonylamino]propylamino]oxymethyl]-4-ethoxycarbonyl-benzoic acid Openeye Name: 2-[[3-[[2-carboxy-5-(3-hydroxyprop-2-ynoyl)benzoyl]amino]propylamino]oxymethyl]-4-ethoxycarbonyl-benzoic acid CAS Name: 2-[[3-[[[2-carboxy-5-(3-hydroxy-1-oxoprop-2-ynyl)phenyl]-oxomethyl]amino]propylamino]oxymethyl]-4-ethoxycarbonylbenzoic acid IUPAC Name: 2-[[3-[[2-carboxy-5-(3-hydroxyprop-2-ynoyl)benzoyl]amino]propylamino]oxymethyl]-4-ethoxycarbonylbenzoic acid Traditional Name: 4-carbethoxy-2-[[3-[[2-carboxy-5-(3-hydroxypropioloyl)benzoyl]amino]propylamino]oxymethyl]benzoic acid Formula: C25H24N2O10 MolecularWeight: 512.46546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C(=O)O)CONCCCNC(=O)C2=C(C=CC(=C2)C(=O)C#CO)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C(=O)O)CONCCCNC(=O)C2=C(C=CC(=C2)C(=O)C#CO)C(=O)O

InChI

InChI=1S/C25H24N2O10/c1-2-36-25(35)16-5-6-18(23(31)32)17(12-16)14-37-27-10-3-9-26-22(30)20-13-15(21(29)8-11-28)4-7-19(20)24(33)34/h4-7,12-13,27-28H,2-3,9-10,14H2,1H3,(H,26,30)(H,31,32)(H,33,34)