2-methylpropyl 4-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: isobutyl 4-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(5-bromo-2-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=C(C=CC(=C2)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO4/c1-14(2)13-27-21(25)15-4-8-18(9-5-15)23-20(24)11-6-16-12-17(22)7-10-19(16)26-3/h4-12,14H,13H2,1-3H3,(H,23,24)/b11-6+