ethyl 2-[[4-(3-cyano-3,3-diphenyl-propyl)piperazin-1-yl]methyl]-5-methoxy-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-[[4-(3-cyano-3,3-diphenyl-propyl)piperazin-1-yl]methyl]-5-methoxy-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-[[4-(3-cyano-3,3-diphenyl-propyl)piperazin-1-yl]methyl]-5-methoxy-benzofuran-3-carboxylate CAS Name: 2-[[4-(3-cyano-3,3-diphenylpropyl)-1-piperazinyl]methyl]-5-methoxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3-cyano-3,3-diphenylpropyl)piperazin-1-yl]methyl]-5-methoxy-1-benzofuran-3-carboxylate Traditional Name: 2-[[4-(3-cyano-3,3-diphenyl-propyl)piperazino]methyl]-5-methoxy-benzofuran-3-carboxylic acid ethyl ester Formula: C33H35N3O4 MolecularWeight: 537.6487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)CN3CCN(CC3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)CN3CCN(CC3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H35N3O4/c1-3-39-32(37)31-28-22-27(38-2)14-15-29(28)40-30(31)23-36-20-18-35(19-21-36)17-16-33(24-34,25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-15,22H,3,16-21,23H2,1-2H3