4-[7-methyl-5-(methylcarbamoyl)-3-oxidanyl-1-(quinoxalin-2-ylcarbonylamino)octyl]benzoic acid

Systemtic Name: 4-[7-methyl-5-(methylcarbamoyl)-3-oxidanyl-1-(quinoxalin-2-ylcarbonylamino)octyl]benzoic acid Openeye Name: 4-[3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-(quinoxaline-2-carbonylamino)octyl]benzoic acid CAS Name: 4-[3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-[[oxo(2-quinoxalinyl)methyl]amino]octyl]benzoic acid IUPAC Name: 4-[3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-(quinoxaline-2-carbonylamino)octyl]benzoic acid Traditional Name: 4-[3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-(quinoxaline-2-carbonylamino)octyl]benzoic acid Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(CC(C1=CC=C(C=C1)C(=O)O)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)NC

Isomeric SMILES

CC(C)CC(CC(CC(C1=CC=C(C=C1)C(=O)O)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)NC

InChI

InChI=1S/C27H32N4O5/c1-16(2)12-19(25(33)28-3)13-20(32)14-23(17-8-10-18(11-9-17)27(35)36)31-26(34)24-15-29-21-6-4-5-7-22(21)30-24/h4-11,15-16,19-20,23,32H,12-14H2,1-3H3,(H,28,33)(H,31,34)(H,35,36)