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

Systemtic Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]-methyl-amino]methyl]benzoic acid Openeye Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid CAS Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2-thiazolyl]-methylamino]methyl]benzoic acid IUPAC Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid Traditional Name: 4-[[[4-[4-(4-cyclohexylbenzyl)oxyphenyl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid Formula: C31H32N2O3S MolecularWeight: 512.66238

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C31H32N2O3S/c1-33(19-22-7-13-27(14-8-22)30(34)35)31-32-29(21-37-31)26-15-17-28(18-16-26)36-20-23-9-11-25(12-10-23)24-5-3-2-4-6-24/h7-18,21,24H,2-6,19-20H2,1H3,(H,34,35)