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

Systemtic Name: pentyl 4-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C22H24BrNO4 MolecularWeight: 446.33426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO4/c1-3-4-5-14-28-22(26)16-6-10-19(11-7-16)24-21(25)13-8-17-15-18(23)9-12-20(17)27-2/h6-13,15H,3-5,14H2,1-2H3,(H,24,25)/b13-8+