ethyl 3-methyl-5-[(3E)-3-(4-methylpiperazin-1-yl)iminobutyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[(3E)-3-(4-methylpiperazin-1-yl)iminobutyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-methyl-5-[(3E)-3-(4-methylpiperazin-1-yl)iminobutyl]benzofuran-2-carboxylate CAS Name: 3-methyl-5-[(3E)-3-[(4-methyl-1-piperazinyl)imino]butyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(3E)-3-(4-methylpiperazin-1-yl)iminobutyl]-1-benzofuran-2-carboxylate Traditional Name: 3-methyl-5-[(3E)-3-(4-methylpiperazino)iminobutyl]coumarilic acid ethyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)CCC(=NN3CCN(CC3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)CC/C(=N/N3CCN(CC3)C)/C)C

InChI

InChI=1S/C21H29N3O3/c1-5-26-21(25)20-16(3)18-14-17(8-9-19(18)27-20)7-6-15(2)22-24-12-10-23(4)11-13-24/h8-9,14H,5-7,10-13H2,1-4H3/b22-15+