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

Systemtic Name: 2-[[1-[(2-carboxy-5-ethynoxy-phenyl)carbonylamino]hexylamino]oxymethyl]-4-(2-phenoxyethoxy)benzoic acid Openeye Name: 2-[[1-[(2-carboxy-5-ethynoxy-benzoyl)amino]hexylamino]oxymethyl]-4-(2-phenoxyethoxy)benzoic acid CAS Name: 2-[[1-[[(2-carboxy-5-ethynoxyphenyl)-oxomethyl]amino]hexylamino]oxymethyl]-4-(2-phenoxyethoxy)benzoic acid IUPAC Name: 2-[[1-[(2-carboxy-5-ethynoxybenzoyl)amino]hexylamino]oxymethyl]-4-(2-phenoxyethoxy)benzoic acid Traditional Name: 2-[[1-[(2-carboxy-5-ethynoxy-benzoyl)amino]hexylamino]oxymethyl]-4-(2-phenoxyethoxy)benzoic acid Formula: C32H34N2O9 MolecularWeight: 590.62036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H34N2O9/c1-3-5-7-12-29(33-30(35)28-20-25(40-4-2)14-16-27(28)32(38)39)34-43-21-22-19-24(13-15-26(22)31(36)37)42-18-17-41-23-10-8-6-9-11-23/h2,6,8-11,13-16,19-20,29,34H,3,5,7,12,17-18,21H2,1H3,(H,33,35)(H,36,37)(H,38,39)