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

Systemtic Name: 4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]-methyl-amino]benzoic acid Openeye Name: 4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]thiazol-2-yl]-methyl-amino]benzoic acid CAS Name: 4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2-thiazolyl]-methylamino]benzoic acid IUPAC Name: 4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]-methylamino]benzoic acid Traditional Name: 4-[[4-[4-(4-cyclohexylbenzyl)oxyphenyl]thiazol-2-yl]-methyl-amino]benzoic acid Formula: C30H30N2O3S MolecularWeight: 498.6358

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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)OCC4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C30H30N2O3S/c1-32(26-15-11-25(12-16-26)29(33)34)30-31-28(20-36-30)24-13-17-27(18-14-24)35-19-21-7-9-23(10-8-21)22-5-3-2-4-6-22/h7-18,20,22H,2-6,19H2,1H3,(H,33,34)