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

Systemtic Name: 4-tert-butyl-3-[[3-[5-chloranyl-4-(2-ethoxyethoxy)-2-methoxy-phenyl]-5-methyl-hexanoyl]amino]benzoic acid Openeye Name: 4-tert-butyl-3-[[3-[5-chloro-4-(2-ethoxyethoxy)-2-methoxy-phenyl]-5-methyl-hexanoyl]amino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-[5-chloro-4-(2-ethoxyethoxy)-2-methoxyphenyl]-5-methyl-1-oxohexyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[[3-[5-chloro-4-(2-ethoxyethoxy)-2-methoxyphenyl]-5-methylhexanoyl]amino]benzoic acid Traditional Name: 4-tert-butyl-3-[[3-[5-chloro-4-(2-ethoxyethoxy)-2-methoxy-phenyl]-5-methyl-hexanoyl]amino]benzoic acid Formula: C29H40ClNO6 MolecularWeight: 534.084

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=C(C=C(C(=C1)OC)C(CC(C)C)CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(C)(C)C)Cl

Isomeric SMILES

CCOCCOC1=C(C=C(C(=C1)OC)C(CC(C)C)CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(C)(C)C)Cl

InChI

InChI=1S/C29H40ClNO6/c1-8-36-11-12-37-26-17-25(35-7)21(16-23(26)30)20(13-18(2)3)15-27(32)31-24-14-19(28(33)34)9-10-22(24)29(4,5)6/h9-10,14,16-18,20H,8,11-13,15H2,1-7H3,(H,31,32)(H,33,34)