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

Systemtic Name: 2-[[1-[(2-carboxy-4-ethynoxy-phenyl)carbonylamino]ethylamino]oxymethyl]-5-(2-phenoxyethoxy)benzoic acid Openeye Name: 2-[[1-[(2-carboxy-4-ethynoxy-benzoyl)amino]ethylamino]oxymethyl]-5-(2-phenoxyethoxy)benzoic acid CAS Name: 2-[[1-[[(2-carboxy-4-ethynoxyphenyl)-oxomethyl]amino]ethylamino]oxymethyl]-5-(2-phenoxyethoxy)benzoic acid IUPAC Name: 2-[[1-[(2-carboxy-4-ethynoxybenzoyl)amino]ethylamino]oxymethyl]-5-(2-phenoxyethoxy)benzoic acid Traditional Name: 2-[[1-[(2-carboxy-4-ethynoxy-benzoyl)amino]ethylamino]oxymethyl]-5-(2-phenoxyethoxy)benzoic acid Formula: C28H26N2O9 MolecularWeight: 534.51404

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C28H26N2O9/c1-3-36-21-11-12-23(25(16-21)28(34)35)26(31)29-18(2)30-39-17-19-9-10-22(15-24(19)27(32)33)38-14-13-37-20-7-5-4-6-8-20/h1,4-12,15-16,18,30H,13-14,17H2,2H3,(H,29,31)(H,32,33)(H,34,35)