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

Systemtic Name: 4-[[[4-[3-[(4-cyclohexylphenyl)methylamino]phenyl]-1,3-thiazol-2-yl]-methyl-amino]methyl]benzoic acid Openeye Name: 4-[[[4-[3-[(4-cyclohexylphenyl)methylamino]phenyl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid CAS Name: 4-[[[4-[3-[(4-cyclohexylphenyl)methylamino]phenyl]-2-thiazolyl]-methylamino]methyl]benzoic acid IUPAC Name: 4-[[[4-[3-[(4-cyclohexylphenyl)methylamino]phenyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid Traditional Name: 4-[[[4-[3-[(4-cyclohexylbenzyl)amino]phenyl]thiazol-2-yl]-methyl-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)C(=O)O)C2=NC(=CS2)C3=CC(=CC=C3)NCC4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC(=CC=C3)NCC4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C31H33N3O2S/c1-34(20-23-12-16-26(17-13-23)30(35)36)31-33-29(21-37-31)27-8-5-9-28(18-27)32-19-22-10-14-25(15-11-22)24-6-3-2-4-7-24/h5,8-18,21,24,32H,2-4,6-7,19-20H2,1H3,(H,35,36)