3-methylbutyl 4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethanoylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethanoylamino]benzoate Openeye Name: isopentyl 4-[[2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[2-[4-(2-phenylpropan-2-yl)phenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-(4-cumylphenoxy)acetyl]amino]benzoic acid isoamyl ester Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C29H33NO4/c1-21(2)18-19-33-28(32)22-10-14-25(15-11-22)30-27(31)20-34-26-16-12-24(13-17-26)29(3,4)23-8-6-5-7-9-23/h5-17,21H,18-20H2,1-4H3,(H,30,31)