methyl 5-[[4-[(3-cyclopentyloxy-4-methoxy-phenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(3-cyclopentyloxy-4-methoxy-phenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[[3-(cyclopentoxy)-4-methoxy-phenyl]carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(3-cyclopentyloxy-4-methoxyanilino)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[[3-(cyclopentoxy)-4-methoxy-phenyl]carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C25H33N3O6 MolecularWeight: 471.54602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC)OC4CCCC4

InChI

InChI=1S/C25H33N3O6/c1-31-21-10-8-18(16-23(21)33-19-6-3-4-7-19)26-25(30)28-13-5-12-27(14-15-28)17-20-9-11-22(34-20)24(29)32-2/h8-11,16,19H,3-7,12-15,17H2,1-2H3,(H,26,30)