2-[[1-[(2-carboxy-4-ethynoxy-phenyl)carbonylamino]propylamino]oxymethyl]-5-(2-phenoxyethoxy)benzoic acid

Systemtic Name: 2-[[1-[(2-carboxy-4-ethynoxy-phenyl)carbonylamino]propylamino]oxymethyl]-5-(2-phenoxyethoxy)benzoic acid Openeye Name: 2-[[1-[(2-carboxy-4-ethynoxy-benzoyl)amino]propylamino]oxymethyl]-5-(2-phenoxyethoxy)benzoic acid CAS Name: 2-[[1-[[(2-carboxy-4-ethynoxyphenyl)-oxomethyl]amino]propylamino]oxymethyl]-5-(2-phenoxyethoxy)benzoic acid IUPAC Name: 2-[[1-[(2-carboxy-4-ethynoxybenzoyl)amino]propylamino]oxymethyl]-5-(2-phenoxyethoxy)benzoic acid Traditional Name: 2-[[1-[(2-carboxy-4-ethynoxy-benzoyl)amino]propylamino]oxymethyl]-5-(2-phenoxyethoxy)benzoic acid Formula: C29H28N2O9 MolecularWeight: 548.54062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C1=C(C=C(C=C1)OC#C)C(=O)O)NOCC2=C(C=C(C=C2)OCCOC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(NC(=O)C1=C(C=C(C=C1)OC#C)C(=O)O)NOCC2=C(C=C(C=C2)OCCOC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C29H28N2O9/c1-3-26(30-27(32)23-13-12-21(37-4-2)17-25(23)29(35)36)31-40-18-19-10-11-22(16-24(19)28(33)34)39-15-14-38-20-8-6-5-7-9-20/h2,5-13,16-17,26,31H,3,14-15,18H2,1H3,(H,30,32)(H,33,34)(H,35,36)