ethyl 5-acetyloxy-6-bromanyl-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(4-phenylpiperazin-1-yl)methyl]benzofuran-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[(4-phenyl-1-piperazinyl)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[(4-phenylpiperazino)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C24H25BrN2O5 MolecularWeight: 501.3697

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(=O)C)Br)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(=O)C)Br)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H25BrN2O5/c1-3-30-24(29)23-18-13-21(31-16(2)28)19(25)14-20(18)32-22(23)15-26-9-11-27(12-10-26)17-7-5-4-6-8-17/h4-8,13-14H,3,9-12,15H2,1-2H3