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

Systemtic Name: 4-[[4-[4-[(4-cyclohexylphenyl)methylamino]phenyl]-1,3-thiazol-2-yl]-methyl-amino]benzoic acid Openeye Name: 4-[[4-[4-[(4-cyclohexylphenyl)methylamino]phenyl]thiazol-2-yl]-methyl-amino]benzoic acid CAS Name: 4-[[4-[4-[(4-cyclohexylphenyl)methylamino]phenyl]-2-thiazolyl]-methylamino]benzoic acid IUPAC Name: 4-[[4-[4-[(4-cyclohexylphenyl)methylamino]phenyl]-1,3-thiazol-2-yl]-methylamino]benzoic acid Traditional Name: 4-[[4-[4-[(4-cyclohexylbenzyl)amino]phenyl]thiazol-2-yl]-methyl-amino]benzoic acid Formula: C30H31N3O2S MolecularWeight: 497.65104

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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)NCC4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NCC4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C30H31N3O2S/c1-33(27-17-13-25(14-18-27)29(34)35)30-32-28(20-36-30)24-11-15-26(16-12-24)31-19-21-7-9-23(10-8-21)22-5-3-2-4-6-22/h7-18,20,22,31H,2-6,19H2,1H3,(H,34,35)