methyl 5-[[4-[2-(2-aminocarbonylphenoxy)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-(2-aminocarbonylphenoxy)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(2-carbamoylphenoxy)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[2-(2-carbamoylphenoxy)-1-oxoethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(2-carbamoylphenoxy)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-(2-carbamoylphenoxy)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)COC3=CC=CC=C3C(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)COC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C21H25N3O6/c1-28-21(27)18-8-7-15(30-18)13-23-9-4-10-24(12-11-23)19(25)14-29-17-6-3-2-5-16(17)20(22)26/h2-3,5-8H,4,9-14H2,1H3,(H2,22,26)