3-[2-azanyl-4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]phenyl]benzoic acid

Systemtic Name: 3-[2-azanyl-4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]phenyl]benzoic acid Openeye Name: 3-[2-amino-4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]phenyl]benzoic acid CAS Name: 3-[2-amino-4-[[3-cyclohexyl-1-(5-thiazolyl)propoxy]methyl]phenyl]benzoic acid IUPAC Name: 3-[2-amino-4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]phenyl]benzoic acid Traditional Name: 3-[2-amino-4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]phenyl]benzoic acid Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(C2=CN=CS2)OCC3=CC(=C(C=C3)C4=CC(=CC=C4)C(=O)O)N

Isomeric SMILES

C1CCC(CC1)CCC(C2=CN=CS2)OCC3=CC(=C(C=C3)C4=CC(=CC=C4)C(=O)O)N

InChI

InChI=1S/C26H30N2O3S/c27-23-13-19(9-11-22(23)20-7-4-8-21(14-20)26(29)30)16-31-24(25-15-28-17-32-25)12-10-18-5-2-1-3-6-18/h4,7-9,11,13-15,17-18,24H,1-3,5-6,10,12,16,27H2,(H,29,30)