4-tert-butyl-3-[3-(2-ethoxy-4-methoxy-phenyl)heptanoylamino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[3-(2-ethoxy-4-methoxy-phenyl)heptanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-(2-ethoxy-4-methoxy-phenyl)heptanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-(2-ethoxy-4-methoxyphenyl)-1-oxoheptyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-(2-ethoxy-4-methoxyphenyl)heptanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-(2-ethoxy-4-methoxy-phenyl)heptanoylamino]benzoic acid Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=C(C=C(C=C2)OC)OCC

Isomeric SMILES

CCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=C(C=C(C=C2)OC)OCC

InChI

InChI=1S/C27H37NO5/c1-7-9-10-18(21-13-12-20(32-6)17-24(21)33-8-2)16-25(29)28-23-15-19(26(30)31)11-14-22(23)27(3,4)5/h11-15,17-18H,7-10,16H2,1-6H3,(H,28,29)(H,30,31)