(2-chlorophenyl)methyl 4-[(5-methoxycarbonylfuran-2-yl)methyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (2-chlorophenyl)methyl 4-[(5-methoxycarbonylfuran-2-yl)methyl]-1,4-diazepane-1-carboxylate Openeye Name: (2-chlorophenyl)methyl 4-[(5-methoxycarbonyl-2-furyl)methyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(5-methoxycarbonyl-2-furanyl)methyl]-1,4-diazepane-1-carboxylic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 4-[(5-methoxycarbonylfuran-2-yl)methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(5-carbomethoxy-2-furyl)methyl]-1,4-diazepane-1-carboxylic acid (2-chlorobenzyl) ester Formula: C20H23ClN2O5 MolecularWeight: 406.86002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)OCC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN2O5/c1-26-19(24)18-8-7-16(28-18)13-22-9-4-10-23(12-11-22)20(25)27-14-15-5-2-3-6-17(15)21/h2-3,5-8H,4,9-14H2,1H3