4-[4-[[(4-heptan-4-ylphenyl)-propan-2-yl-amino]methyl]phenyl]-3-(1,3-thiazol-2-ylmethoxy)-1,2-oxazole-5-carboxylic acid

Systemtic Name: 4-[4-[[(4-heptan-4-ylphenyl)-propan-2-yl-amino]methyl]phenyl]-3-(1,3-thiazol-2-ylmethoxy)-1,2-oxazole-5-carboxylic acid Openeye Name: 4-[4-[[N-isopropyl-4-(1-propylbutyl)anilino]methyl]phenyl]-3-(thiazol-2-ylmethoxy)isoxazole-5-carboxylic acid CAS Name: 4-[4-[(4-heptan-4-yl-N-propan-2-ylanilino)methyl]phenyl]-3-(2-thiazolylmethoxy)-5-isoxazolecarboxylic acid IUPAC Name: 4-[4-[(4-heptan-4-yl-N-propan-2-ylanilino)methyl]phenyl]-3-(1,3-thiazol-2-ylmethoxy)-1,2-oxazole-5-carboxylic acid Traditional Name: 4-[4-[[N-isopropyl-4-(1-propylbutyl)anilino]methyl]phenyl]-3-(thiazol-2-ylmethoxy)isoxazole-5-carboxylic acid Formula: C31H37N3O4S MolecularWeight: 547.70818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C3=C(ON=C3OCC4=NC=CS4)C(=O)O)C(C)C

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C3=C(ON=C3OCC4=NC=CS4)C(=O)O)C(C)C

InChI

InChI=1S/C31H37N3O4S/c1-5-7-23(8-6-2)24-13-15-26(16-14-24)34(21(3)4)19-22-9-11-25(12-10-22)28-29(31(35)36)38-33-30(28)37-20-27-32-17-18-39-27/h9-18,21,23H,5-8,19-20H2,1-4H3,(H,35,36)