methyl 3-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate

Systemtic Name: methyl 3-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[[4-[(5-methoxycarbonyl-2-furyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate CAS Name: 3-[[4-[(5-methoxycarbonyl-2-furanyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Traditional Name: 3-[[4-[(5-carbomethoxy-2-furyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CN2)CN3CCCN(CC3)CC4=CC=C(O4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2)CN3CCCN(CC3)CC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C23H27N3O5/c1-29-22(27)16-4-6-19-17(13-24-20(19)12-16)14-25-8-3-9-26(11-10-25)15-18-5-7-21(31-18)23(28)30-2/h4-7,12-13,24H,3,8-11,14-15H2,1-2H3