3-[4-methoxycarbonyl-3-[[4-(4-phenylbutoxy)phenyl]carbonylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-methoxycarbonyl-3-[[4-(4-phenylbutoxy)phenyl]carbonylamino]phenyl]propanoic acid Openeye Name: 3-[4-methoxycarbonyl-3-[[4-(4-phenylbutoxy)benzoyl]amino]phenyl]propanoic acid CAS Name: 3-[4-methoxycarbonyl-3-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-methoxycarbonyl-3-[[4-(4-phenylbutoxy)benzoyl]amino]phenyl]propanoic acid Traditional Name: 3-[4-carbomethoxy-3-[[4-(4-phenylbutoxy)benzoyl]amino]phenyl]propionic acid Formula: C28H29NO6 MolecularWeight: 475.53296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)CCC(=O)O)NC(=O)C2=CC=C(C=C2)OCCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)CCC(=O)O)NC(=O)C2=CC=C(C=C2)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C28H29NO6/c1-34-28(33)24-16-10-21(11-17-26(30)31)19-25(24)29-27(32)22-12-14-23(15-13-22)35-18-6-5-9-20-7-3-2-4-8-20/h2-4,7-8,10,12-16,19H,5-6,9,11,17-18H2,1H3,(H,29,32)(H,30,31)