2-methylpropyl 4-[3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoylamino]benzoate Openeye Name: isobutyl 4-[3-(3-bromo-4-methoxy-phenyl)prop-2-enoylamino]benzoate CAS Name: 4-[[3-(3-bromo-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[3-(3-bromo-4-methoxyphenyl)prop-2-enoylamino]benzoate Traditional Name: 4-[[3-(3-bromo-4-methoxy-phenyl)acryloyl]amino]benzoic acid isobutyl ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C21H22BrNO4/c1-14(2)13-27-21(25)16-6-8-17(9-7-16)23-20(24)11-5-15-4-10-19(26-3)18(22)12-15/h4-12,14H,13H2,1-3H3,(H,23,24)