4-[[2-[2-[[4-(4-chlorophenyl)phenyl]methoxy]phenyl]ethyl-(5-oxidanyl-5-oxidanylidene-pentyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[2-[2-[[4-(4-chlorophenyl)phenyl]methoxy]phenyl]ethyl-(5-oxidanyl-5-oxidanylidene-pentyl)amino]methyl]benzoic acid Openeye Name: 4-[[2-[2-[[4-(4-chlorophenyl)phenyl]methoxy]phenyl]ethyl-(5-hydroxy-5-oxo-pentyl)amino]methyl]benzoic acid CAS Name: 4-[[2-[2-[[4-(4-chlorophenyl)phenyl]methoxy]phenyl]ethyl-(5-hydroxy-5-oxopentyl)amino]methyl]benzoic acid IUPAC Name: 4-[[2-[2-[[4-(4-chlorophenyl)phenyl]methoxy]phenyl]ethyl-(5-hydroxy-5-oxopentyl)amino]methyl]benzoic acid Traditional Name: 4-[[2-[2-[4-(4-chlorophenyl)benzyl]oxyphenyl]ethyl-(5-hydroxy-5-keto-pentyl)amino]methyl]benzoic acid Formula: C34H34ClNO5 MolecularWeight: 572.09046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCN(CCCCC(=O)O)CC2=CC=C(C=C2)C(=O)O)OCC3=CC=C(C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CCN(CCCCC(=O)O)CC2=CC=C(C=C2)C(=O)O)OCC3=CC=C(C=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C34H34ClNO5/c35-31-18-16-28(17-19-31)27-12-10-26(11-13-27)24-41-32-6-2-1-5-29(32)20-22-36(21-4-3-7-33(37)38)23-25-8-14-30(15-9-25)34(39)40/h1-2,5-6,8-19H,3-4,7,20-24H2,(H,37,38)(H,39,40)