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

Systemtic Name: pentyl 4-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]benzoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 4-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]benzoate Traditional Name: 4-[[3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]benzoic acid amyl ester Formula: C23H26BrNO4 MolecularWeight: 460.36084

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrNO4/c1-3-5-6-15-29-23(27)17-7-11-20(12-8-17)25-22(26)14-9-18-16-19(24)10-13-21(18)28-4-2/h7-14,16H,3-6,15H2,1-2H3,(H,25,26)