methyl 2-butyl-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]carbonyl-1-benzofuran-5-carboxylate

Systemtic Name: methyl 2-butyl-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]carbonyl-1-benzofuran-5-carboxylate Openeye Name: methyl 2-butyl-3-[4-[(4-ethylpiperazin-1-yl)methyl]benzoyl]benzofuran-5-carboxylate CAS Name: 2-butyl-3-[[4-[(4-ethyl-1-piperazinyl)methyl]phenyl]-oxomethyl]-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[4-[(4-ethylpiperazin-1-yl)methyl]benzoyl]-1-benzofuran-5-carboxylate Traditional Name: 2-butyl-3-[4-[(4-ethylpiperazino)methyl]benzoyl]benzofuran-5-carboxylic acid methyl ester Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)CN4CCN(CC4)CC

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)CN4CCN(CC4)CC

InChI

InChI=1S/C28H34N2O4/c1-4-6-7-25-26(23-18-22(28(32)33-3)12-13-24(23)34-25)27(31)21-10-8-20(9-11-21)19-30-16-14-29(5-2)15-17-30/h8-13,18H,4-7,14-17,19H2,1-3H3