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

Systemtic Name: methyl 6-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-[(5-methoxycarbonyl-2-furyl)methyl]-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[4-[(5-methoxycarbonyl-2-furanyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[(5-methoxycarbonylfuran-2-yl)methyl]-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[4-[(5-carbomethoxy-2-furyl)methyl]-1,4-diazepane-1-carbonyl]nicotinic acid methyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C20H23N3O6/c1-27-19(25)14-4-6-16(21-12-14)18(24)23-9-3-8-22(10-11-23)13-15-5-7-17(29-15)20(26)28-2/h4-7,12H,3,8-11,13H2,1-2H3