(3-oxidanylidene-1H-2-benzofuran-1-yl) 4-[[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]-methyl-amino]methyl]benzoate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 4-[[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]-methyl-amino]methyl]benzoate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 4-[[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]thiazol-2-yl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2-thiazolyl]-methylamino]methyl]benzoic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 4-[[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoate Traditional Name: 4-[[[4-[4-(4-cyclohexylbenzyl)oxyphenyl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid phthalidyl ester Formula: C39H36N2O5S MolecularWeight: 644.77854

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC2C3=CC=CC=C3C(=O)O2)C4=NC(=CS4)C5=CC=C(C=C5)OCC6=CC=C(C=C6)C7CCCCC7

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC2C3=CC=CC=C3C(=O)O2)C4=NC(=CS4)C5=CC=C(C=C5)OCC6=CC=C(C=C6)C7CCCCC7

InChI

InChI=1S/C39H36N2O5S/c1-41(23-26-11-17-31(18-12-26)36(42)45-38-34-10-6-5-9-33(34)37(43)46-38)39-40-35(25-47-39)30-19-21-32(22-20-30)44-24-27-13-15-29(16-14-27)28-7-3-2-4-8-28/h5-6,9-22,25,28,38H,2-4,7-8,23-24H2,1H3