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

Systemtic Name: methyl 5-[[4-[(4-methoxyphenyl)methylcarbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(4-methoxyphenyl)methylcarbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[(4-methoxyphenyl)methylamino]-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(4-methoxyphenyl)methylcarbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(p-anisylcarbamoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C21H27N3O5/c1-27-17-6-4-16(5-7-17)14-22-21(26)24-11-3-10-23(12-13-24)15-18-8-9-19(29-18)20(25)28-2/h4-9H,3,10-15H2,1-2H3,(H,22,26)