4-tert-butyl-3-[3-[5-chloranyl-4-(2-ethoxyethoxy)-2-methoxy-phenyl]octanoylamino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[3-[5-chloranyl-4-(2-ethoxyethoxy)-2-methoxy-phenyl]octanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-[5-chloro-4-(2-ethoxyethoxy)-2-methoxy-phenyl]octanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-[5-chloro-4-(2-ethoxyethoxy)-2-methoxyphenyl]-1-oxooctyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-[5-chloro-4-(2-ethoxyethoxy)-2-methoxyphenyl]octanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-[5-chloro-4-(2-ethoxyethoxy)-2-methoxy-phenyl]octanoylamino]benzoic acid Formula: C30H42ClNO6 MolecularWeight: 548.11058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=CC(=C(C=C2OC)OCCOCC)Cl

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=CC(=C(C=C2OC)OCCOCC)Cl

InChI

InChI=1S/C30H42ClNO6/c1-7-9-10-11-20(22-18-24(31)27(19-26(22)36-6)38-15-14-37-8-2)17-28(33)32-25-16-21(29(34)35)12-13-23(25)30(3,4)5/h12-13,16,18-20H,7-11,14-15,17H2,1-6H3,(H,32,33)(H,34,35)