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

Systemtic Name: methyl 5-[[4-[(2-methoxycarbonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(2-methoxycarbonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(2-methoxycarbonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(2-methoxycarbonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-carbomethoxybenzyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CN2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=CC=C1CN2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C21H26N2O5/c1-26-20(24)18-7-4-3-6-16(18)14-22-10-5-11-23(13-12-22)15-17-8-9-19(28-17)21(25)27-2/h3-4,6-9H,5,10-15H2,1-2H3