4-tert-butyl-3-[[3-[5-chloranyl-2-methoxy-4-(2-methoxyethoxy)phenyl]-5-methyl-hexanoyl]amino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[[3-[5-chloranyl-2-methoxy-4-(2-methoxyethoxy)phenyl]-5-methyl-hexanoyl]amino]benzoic acid Openeye Name: 4-tert-butyl-3-[[3-[5-chloro-2-methoxy-4-(2-methoxyethoxy)phenyl]-5-methyl-hexanoyl]amino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-[5-chloro-2-methoxy-4-(2-methoxyethoxy)phenyl]-5-methyl-1-oxohexyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[[3-[5-chloro-2-methoxy-4-(2-methoxyethoxy)phenyl]-5-methylhexanoyl]amino]benzoic acid Traditional Name: 4-tert-butyl-3-[[3-[5-chloro-2-methoxy-4-(2-methoxyethoxy)phenyl]-5-methyl-hexanoyl]amino]benzoic acid Formula: C28H38ClNO6 MolecularWeight: 520.05742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=CC(=C(C=C2OC)OCCOC)Cl

Isomeric SMILES

CC(C)CC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=CC(=C(C=C2OC)OCCOC)Cl

InChI

InChI=1S/C28H38ClNO6/c1-17(2)12-19(20-15-22(29)25(16-24(20)35-7)36-11-10-34-6)14-26(31)30-23-13-18(27(32)33)8-9-21(23)28(3,4)5/h8-9,13,15-17,19H,10-12,14H2,1-7H3,(H,30,31)(H,32,33)