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

Systemtic Name: 4-[[4-[3-[(4-cyclohexylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]-propan-2-yl-amino]benzoic acid Openeye Name: 4-[[4-[3-[(4-cyclohexylphenyl)methoxy]phenyl]thiazol-2-yl]-isopropyl-amino]benzoic acid CAS Name: 4-[[4-[3-[(4-cyclohexylphenyl)methoxy]phenyl]-2-thiazolyl]-propan-2-ylamino]benzoic acid IUPAC Name: 4-[[4-[3-[(4-cyclohexylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]-propan-2-ylamino]benzoic acid Traditional Name: 4-[[4-[3-(4-cyclohexylbenzyl)oxyphenyl]thiazol-2-yl]-isopropyl-amino]benzoic acid Formula: C32H34N2O3S MolecularWeight: 526.68896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H34N2O3S/c1-22(2)34(28-17-15-26(16-18-28)31(35)36)32-33-30(21-38-32)27-9-6-10-29(19-27)37-20-23-11-13-25(14-12-23)24-7-4-3-5-8-24/h6,9-19,21-22,24H,3-5,7-8,20H2,1-2H3,(H,35,36)