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

Systemtic Name: 3-methylbutyl 4-[[(E)-3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: isopentyl 4-[[(E)-3-(3-bromo-4-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(3-bromo-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[(E)-3-(3-bromo-4-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(3-bromo-4-methoxy-phenyl)acryloyl]amino]benzoic acid isoamyl ester Formula: C22H24BrNO4 MolecularWeight: 446.33426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO4/c1-15(2)12-13-28-22(26)17-6-8-18(9-7-17)24-21(25)11-5-16-4-10-20(27-3)19(23)14-16/h4-11,14-15H,12-13H2,1-3H3,(H,24,25)/b11-5+