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

Systemtic Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methyl-(2-hydroxyethyl)amino]phenyl]-1,3-thiazol-2-yl]-methyl-amino]methyl]benzoic acid Openeye Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methyl-(2-hydroxyethyl)amino]phenyl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid CAS Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methyl-(2-hydroxyethyl)amino]phenyl]-2-thiazolyl]-methylamino]methyl]benzoic acid IUPAC Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methyl-(2-hydroxyethyl)amino]phenyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid Traditional Name: 4-[[[4-[4-[(4-cyclohexylbenzyl)-(2-hydroxyethyl)amino]phenyl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid Formula: C33H37N3O3S MolecularWeight: 555.73018

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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)N(CCO)CC4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)N(CCO)CC4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C33H37N3O3S/c1-35(21-24-9-13-29(14-10-24)32(38)39)33-34-31(23-40-33)28-15-17-30(18-16-28)36(19-20-37)22-25-7-11-27(12-8-25)26-5-3-2-4-6-26/h7-18,23,26,37H,2-6,19-22H2,1H3,(H,38,39)