2-(carboxymethyloxy)-5-[2-(furan-3-ylcarbonylamino)-3-oxidanylidene-3-(4-phenylbutylamino)propyl]benzoic acid

Systemtic Name: 2-(carboxymethyloxy)-5-[2-(furan-3-ylcarbonylamino)-3-oxidanylidene-3-(4-phenylbutylamino)propyl]benzoic acid Openeye Name: 2-(carboxymethyloxy)-5-[2-(furan-3-carbonylamino)-3-oxo-3-(4-phenylbutylamino)propyl]benzoic acid CAS Name: 2-(carboxymethyloxy)-5-[2-[[3-furanyl(oxo)methyl]amino]-3-oxo-3-(4-phenylbutylamino)propyl]benzoic acid IUPAC Name: 2-(carboxymethyloxy)-5-[2-(furan-3-carbonylamino)-3-oxo-3-(4-phenylbutylamino)propyl]benzoic acid Traditional Name: 2-(carboxymethyloxy)-5-[2-(3-furoylamino)-3-keto-3-(4-phenylbutylamino)propyl]benzoic acid Formula: C27H28N2O8 MolecularWeight: 508.51982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)O)C(=O)O)NC(=O)C3=COC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)O)C(=O)O)NC(=O)C3=COC=C3

InChI

InChI=1S/C27H28N2O8/c30-24(31)17-37-23-10-9-19(14-21(23)27(34)35)15-22(29-25(32)20-11-13-36-16-20)26(33)28-12-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-11,13-14,16,22H,4-5,8,12,15,17H2,(H,28,33)(H,29,32)(H,30,31)(H,34,35)