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

Systemtic Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methyl-methyl-amino]phenyl]-1,3-thiazol-2-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methyl-methyl-amino]phenyl]thiazol-2-yl]amino]methyl]benzoic acid CAS Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methyl-methylamino]phenyl]-2-thiazolyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methyl-methylamino]phenyl]-1,3-thiazol-2-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-[4-[(4-cyclohexylbenzyl)-methyl-amino]phenyl]thiazol-2-yl]amino]methyl]benzoic acid Formula: C31H33N3O2S MolecularWeight: 511.67762

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C2CCCCC2)C3=CC=C(C=C3)C4=CSC(=N4)NCC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CN(CC1=CC=C(C=C1)C2CCCCC2)C3=CC=C(C=C3)C4=CSC(=N4)NCC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C31H33N3O2S/c1-34(20-23-9-11-25(12-10-23)24-5-3-2-4-6-24)28-17-15-26(16-18-28)29-21-37-31(33-29)32-19-22-7-13-27(14-8-22)30(35)36/h7-18,21,24H,2-6,19-20H2,1H3,(H,32,33)(H,35,36)