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

Systemtic Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methyl-(2-methoxyethanoyl)amino]phenyl]-1,3-thiazol-2-yl]-methyl-amino]methyl]benzoic acid Openeye Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methyl-(2-methoxyacetyl)amino]phenyl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid CAS Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methyl-(2-methoxy-1-oxoethyl)amino]phenyl]-2-thiazolyl]-methylamino]methyl]benzoic acid IUPAC Name: 4-[[[4-[4-[(4-cyclohexylphenyl)methyl-(2-methoxyacetyl)amino]phenyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid Traditional Name: 4-[[[4-[4-[(4-cyclohexylbenzyl)-(2-methoxyacetyl)amino]phenyl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid Formula: C34H37N3O4S MolecularWeight: 583.74028

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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(CC4=CC=C(C=C4)C5CCCCC5)C(=O)COC

Isomeric SMILES

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

InChI

InChI=1S/C34H37N3O4S/c1-36(20-24-10-14-29(15-11-24)33(39)40)34-35-31(23-42-34)28-16-18-30(19-17-28)37(32(38)22-41-2)21-25-8-12-27(13-9-25)26-6-4-3-5-7-26/h8-19,23,26H,3-7,20-22H2,1-2H3,(H,39,40)