3-methylbutyl 4-[(2-bromanyl-3,4,5-trimethoxy-phenyl)carbonylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[(2-bromanyl-3,4,5-trimethoxy-phenyl)carbonylamino]benzoate Openeye Name: isopentyl 4-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]benzoate CAS Name: 4-[[(2-bromo-3,4,5-trimethoxyphenyl)-oxomethyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]benzoate Traditional Name: 4-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]benzoic acid isoamyl ester Formula: C22H26BrNO6 MolecularWeight: 480.34894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC

InChI

InChI=1S/C22H26BrNO6/c1-13(2)10-11-30-22(26)14-6-8-15(9-7-14)24-21(25)16-12-17(27-3)19(28-4)20(29-5)18(16)23/h6-9,12-13H,10-11H2,1-5H3,(H,24,25)