2-[2-(4-acetyloxy-3-tert-butyl-phenoxy)tetradecyl]-4-azanyl-3-propan-2-yloxy-benzoic acid

Systemtic Name: 2-[2-(4-acetyloxy-3-tert-butyl-phenoxy)tetradecyl]-4-azanyl-3-propan-2-yloxy-benzoic acid Openeye Name: 2-[2-(4-acetoxy-3-tert-butyl-phenoxy)tetradecyl]-4-amino-3-isopropoxy-benzoic acid CAS Name: 2-[2-(4-acetyloxy-3-tert-butylphenoxy)tetradecyl]-4-amino-3-propan-2-yloxybenzoic acid IUPAC Name: 2-[2-(4-acetyloxy-3-tert-butylphenoxy)tetradecyl]-4-amino-3-propan-2-yloxybenzoic acid Traditional Name: 2-[2-(4-acetoxy-3-tert-butyl-phenoxy)tetradecyl]-4-amino-3-isopropoxy-benzoic acid Formula: C36H55NO6 MolecularWeight: 597.825

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC1=C(C=CC(=C1OC(C)C)N)C(=O)O)OC2=CC(=C(C=C2)OC(=O)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC(CC1=C(C=CC(=C1OC(C)C)N)C(=O)O)OC2=CC(=C(C=C2)OC(=O)C)C(C)(C)C

InChI

InChI=1S/C36H55NO6/c1-8-9-10-11-12-13-14-15-16-17-18-27(23-30-29(35(39)40)20-21-32(37)34(30)41-25(2)3)43-28-19-22-33(42-26(4)38)31(24-28)36(5,6)7/h19-22,24-25,27H,8-18,23,37H2,1-7H3,(H,39,40)