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

Systemtic Name: 2-[[1-[(2-carboxy-5-ethynoxy-phenyl)carbonylamino]butylamino]oxymethyl]-4-(2-phenoxyethoxy)benzoic acid Openeye Name: 2-[[1-[(2-carboxy-5-ethynoxy-benzoyl)amino]butylamino]oxymethyl]-4-(2-phenoxyethoxy)benzoic acid CAS Name: 2-[[1-[[(2-carboxy-5-ethynoxyphenyl)-oxomethyl]amino]butylamino]oxymethyl]-4-(2-phenoxyethoxy)benzoic acid IUPAC Name: 2-[[1-[(2-carboxy-5-ethynoxybenzoyl)amino]butylamino]oxymethyl]-4-(2-phenoxyethoxy)benzoic acid Traditional Name: 2-[[1-[(2-carboxy-5-ethynoxy-benzoyl)amino]butylamino]oxymethyl]-4-(2-phenoxyethoxy)benzoic acid Formula: C30H30N2O9 MolecularWeight: 562.5672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(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

CCCC(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/C30H30N2O9/c1-3-8-27(31-28(33)26-18-23(38-4-2)12-14-25(26)30(36)37)32-41-19-20-17-22(11-13-24(20)29(34)35)40-16-15-39-21-9-6-5-7-10-21/h2,5-7,9-14,17-18,27,32H,3,8,15-16,19H2,1H3,(H,31,33)(H,34,35)(H,36,37)