2-[2-cyano-4-[2-(furan-3-ylcarbonylamino)-3-oxidanylidene-3-(4-phenylbutylamino)propyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-cyano-4-[2-(furan-3-ylcarbonylamino)-3-oxidanylidene-3-(4-phenylbutylamino)propyl]phenoxy]ethanoic acid Openeye Name: 2-[2-cyano-4-[2-(furan-3-carbonylamino)-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]acetic acid CAS Name: 2-[2-cyano-4-[2-[[3-furanyl(oxo)methyl]amino]-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]acetic acid IUPAC Name: 2-[2-cyano-4-[2-(furan-3-carbonylamino)-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]acetic acid Traditional Name: 2-[2-cyano-4-[2-(3-furoylamino)-3-keto-3-(4-phenylbutylamino)propyl]phenoxy]acetic acid Formula: C27H27N3O6 MolecularWeight: 489.51978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O6/c28-16-22-14-20(9-10-24(22)36-18-25(31)32)15-23(30-26(33)21-11-13-35-17-21)27(34)29-12-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,9-11,13-14,17,23H,4-5,8,12,15,18H2,(H,29,34)(H,30,33)(H,31,32)