2-[3-bromanyl-5-[[(1-carboxycyclopentyl)methyl-hexanoyl-amino]methyl]-1-benzothiophen-2-yl]benzoic acid

Systemtic Name: 2-[3-bromanyl-5-[[(1-carboxycyclopentyl)methyl-hexanoyl-amino]methyl]-1-benzothiophen-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-hexanoyl-amino]methyl]benzothiophen-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-(1-oxohexyl)amino]methyl]-1-benzothiophen-2-yl]benzoic acid IUPAC Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-hexanoylamino]methyl]-1-benzothiophen-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[[caproyl-[(1-carboxycyclopentyl)methyl]amino]methyl]benzothiophen-2-yl]benzoic acid Formula: C29H32BrNO5S MolecularWeight: 586.53708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CC1=CC2=C(C=C1)SC(=C2Br)C3=CC=CC=C3C(=O)O)CC4(CCCC4)C(=O)O

Isomeric SMILES

CCCCCC(=O)N(CC1=CC2=C(C=C1)SC(=C2Br)C3=CC=CC=C3C(=O)O)CC4(CCCC4)C(=O)O

InChI

InChI=1S/C29H32BrNO5S/c1-2-3-4-11-24(32)31(18-29(28(35)36)14-7-8-15-29)17-19-12-13-23-22(16-19)25(30)26(37-23)20-9-5-6-10-21(20)27(33)34/h5-6,9-10,12-13,16H,2-4,7-8,11,14-15,17-18H2,1H3,(H,33,34)(H,35,36)