4-tert-butyl-3-[2-(2,4-dimethoxyphenyl)heptylcarbamoylamino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[2-(2,4-dimethoxyphenyl)heptylcarbamoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[2-(2,4-dimethoxyphenyl)heptylcarbamoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[[2-(2,4-dimethoxyphenyl)heptylamino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[2-(2,4-dimethoxyphenyl)heptylcarbamoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[2-(2,4-dimethoxyphenyl)heptylcarbamoylamino]benzoic acid Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CNC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CCCCCC(CNC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C27H38N2O5/c1-7-8-9-10-19(21-13-12-20(33-5)16-24(21)34-6)17-28-26(32)29-23-15-18(25(30)31)11-14-22(23)27(2,3)4/h11-16,19H,7-10,17H2,1-6H3,(H,30,31)(H2,28,29,32)