2-methylpropyl 4-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]benzoate Openeye Name: isobutyl 4-[3-(5-bromo-2-ethoxy-phenyl)prop-2-enoylamino]benzoate CAS Name: 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]benzoate Traditional Name: 4-[[3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]benzoic acid isobutyl ester Formula: C22H24BrNO4 MolecularWeight: 446.33426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C

InChI

InChI=1S/C22H24BrNO4/c1-4-27-20-11-8-18(23)13-17(20)7-12-21(25)24-19-9-5-16(6-10-19)22(26)28-14-15(2)3/h5-13,15H,4,14H2,1-3H3,(H,24,25)