pentyl 4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanoylamino]benzoate

Systemtic Name: pentyl 4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanoylamino]benzoate Openeye Name: pentyl 4-[[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]acetyl]amino]benzoic acid amyl ester Formula: C28H39NO4 MolecularWeight: 453.61356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(C)(C)CC(C)(C)C

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C28H39NO4/c1-7-8-9-18-32-26(31)21-10-14-23(15-11-21)29-25(30)19-33-24-16-12-22(13-17-24)28(5,6)20-27(2,3)4/h10-17H,7-9,18-20H2,1-6H3,(H,29,30)