3-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methoxy]-4-(2-methylpropanoylamino)benzoic acid

Systemtic Name: 3-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methoxy]-4-(2-methylpropanoylamino)benzoic acid Openeye Name: 4-(2-methylpropanoylamino)-3-[[4-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thienyl]methoxy]benzoic acid CAS Name: 3-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-2-thiophenyl]methoxy]-4-[(2-methyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 3-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methoxy]-4-(2-methylpropanoylamino)benzoic acid Traditional Name: 4-(isobutyrylamino)-3-[[4-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thienyl]methoxy]benzoic acid Formula: C36H41NO5S MolecularWeight: 599.77944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=C3)COC4=C(C=CC(=C4)C(=O)O)NC(=O)C(C)C

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=C3)COC4=C(C=CC(=C4)C(=O)O)NC(=O)C(C)C

InChI

InChI=1S/C36H41NO5S/c1-5-7-26(8-6-2)27-13-16-31(17-14-27)41-21-25-9-11-28(12-10-25)30-19-32(43-23-30)22-42-34-20-29(36(39)40)15-18-33(34)37-35(38)24(3)4/h9-20,23-24,26H,5-8,21-22H2,1-4H3,(H,37,38)(H,39,40)