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

Systemtic Name: propan-2-yl 2-butyl-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]carbonyl-1-benzofuran-5-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C30H38N2O4 MolecularWeight: 490.63372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O4/c1-5-7-8-27-28(25-19-24(13-14-26(25)36-27)30(34)35-21(3)4)29(33)23-11-9-22(10-12-23)20-32-17-15-31(6-2)16-18-32/h9-14,19,21H,5-8,15-18,20H2,1-4H3