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

Systemtic Name: 4-[[2-[2-[[4-(4-tert-butylphenyl)-2-chloranyl-phenyl]methoxy]phenyl]ethyl-(5-oxidanyl-5-oxidanylidene-pentyl)amino]methyl]benzoic acid Openeye Name: 4-[[2-[2-[[4-(4-tert-butylphenyl)-2-chloro-phenyl]methoxy]phenyl]ethyl-(5-hydroxy-5-oxo-pentyl)amino]methyl]benzoic acid CAS Name: 4-[[2-[2-[[4-(4-tert-butylphenyl)-2-chlorophenyl]methoxy]phenyl]ethyl-(5-hydroxy-5-oxopentyl)amino]methyl]benzoic acid IUPAC Name: 4-[[2-[2-[[4-(4-tert-butylphenyl)-2-chlorophenyl]methoxy]phenyl]ethyl-(5-hydroxy-5-oxopentyl)amino]methyl]benzoic acid Traditional Name: 4-[[2-[2-[4-(4-tert-butylphenyl)-2-chloro-benzyl]oxyphenyl]ethyl-(5-hydroxy-5-keto-pentyl)amino]methyl]benzoic acid Formula: C38H42ClNO5 MolecularWeight: 628.19678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(C=C2)COC3=CC=CC=C3CCN(CCCCC(=O)O)CC4=CC=C(C=C4)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(C=C2)COC3=CC=CC=C3CCN(CCCCC(=O)O)CC4=CC=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C38H42ClNO5/c1-38(2,3)33-19-17-28(18-20-33)31-15-16-32(34(39)24-31)26-45-35-9-5-4-8-29(35)21-23-40(22-7-6-10-36(41)42)25-27-11-13-30(14-12-27)37(43)44/h4-5,8-9,11-20,24H,6-7,10,21-23,25-26H2,1-3H3,(H,41,42)(H,43,44)