ethyl 3-[3-oxidanyl-4-[[4-(4-phenylbutoxy)phenyl]carbonylamino]phenyl]propanoate

Systemtic Name: ethyl 3-[3-oxidanyl-4-[[4-(4-phenylbutoxy)phenyl]carbonylamino]phenyl]propanoate Openeye Name: ethyl 3-[3-hydroxy-4-[[4-(4-phenylbutoxy)benzoyl]amino]phenyl]propanoate CAS Name: 3-[3-hydroxy-4-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-hydroxy-4-[[4-(4-phenylbutoxy)benzoyl]amino]phenyl]propanoate Traditional Name: 3-[3-hydroxy-4-[[4-(4-phenylbutoxy)benzoyl]amino]phenyl]propionic acid ethyl ester Formula: C28H31NO5 MolecularWeight: 461.54944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OCCCCC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)CCC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OCCCCC3=CC=CC=C3)O

InChI

InChI=1S/C28H31NO5/c1-2-33-27(31)18-12-22-11-17-25(26(30)20-22)29-28(32)23-13-15-24(16-14-23)34-19-7-6-10-21-8-4-3-5-9-21/h3-5,8-9,11,13-17,20,30H,2,6-7,10,12,18-19H2,1H3,(H,29,32)