ethyl 4-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]-1-benzofuran-2-carboximidate

Systemtic Name: ethyl 4-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]-1-benzofuran-2-carboximidate Openeye Name: ethyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propoxy]benzofuran-2-carboximidate CAS Name: 4-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropoxy]-2-benzofurancarboximidic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]-1-benzofuran-2-carboximidate Traditional Name: 4-[3-(4-benzhydrylpiperazino)-2-hydroxy-propoxy]benzofuran-2-carboximidic acid ethyl ester Formula: C31H35N3O4 MolecularWeight: 513.6273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=N)C1=CC2=C(O1)C=CC=C2OCC(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CCOC(=N)C1=CC2=C(O1)C=CC=C2OCC(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C31H35N3O4/c1-2-36-31(32)29-20-26-27(14-9-15-28(26)38-29)37-22-25(35)21-33-16-18-34(19-17-33)30(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-15,20,25,30,32,35H,2,16-19,21-22H2,1H3