4-[[4-[4-(4-cyclohexylbutanoylamino)phenyl]-1,3-thiazol-2-yl]-methyl-amino]benzoic acid

Systemtic Name: 4-[[4-[4-(4-cyclohexylbutanoylamino)phenyl]-1,3-thiazol-2-yl]-methyl-amino]benzoic acid Openeye Name: 4-[[4-[4-(4-cyclohexylbutanoylamino)phenyl]thiazol-2-yl]-methyl-amino]benzoic acid CAS Name: 4-[[4-[4-[(4-cyclohexyl-1-oxobutyl)amino]phenyl]-2-thiazolyl]-methylamino]benzoic acid IUPAC Name: 4-[[4-[4-(4-cyclohexylbutanoylamino)phenyl]-1,3-thiazol-2-yl]-methylamino]benzoic acid Traditional Name: 4-[[4-[4-(4-cyclohexylbutanoylamino)phenyl]thiazol-2-yl]-methyl-amino]benzoic acid Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NC(=O)CCCC4CCCCC4

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NC(=O)CCCC4CCCCC4

InChI

InChI=1S/C27H31N3O3S/c1-30(23-16-12-21(13-17-23)26(32)33)27-29-24(18-34-27)20-10-14-22(15-11-20)28-25(31)9-5-8-19-6-3-2-4-7-19/h10-19H,2-9H2,1H3,(H,28,31)(H,32,33)