3-methylbutyl 4-[2-(3,5-dimethylphenoxy)ethanoylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[2-(3,5-dimethylphenoxy)ethanoylamino]benzoate Openeye Name: isopentyl 4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(3,5-dimethylphenoxy)-1-oxoethyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoic acid isoamyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)OCCC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)OCCC(C)C)C

InChI

InChI=1S/C22H27NO4/c1-15(2)9-10-26-22(25)18-5-7-19(8-6-18)23-21(24)14-27-20-12-16(3)11-17(4)13-20/h5-8,11-13,15H,9-10,14H2,1-4H3,(H,23,24)