ethyl 3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4-benzyl-1,4-diazepan-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-benzyl-1,4-diazepan-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(4-benzyl-1,4-diazepan-1-yl)methyl]coumarilic acid ethyl ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O3/c1-2-28-24(27)23-21(20-11-6-7-12-22(20)29-23)18-26-14-8-13-25(15-16-26)17-19-9-4-3-5-10-19/h3-7,9-12H,2,8,13-18H2,1H3