methyl 4-[[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[4-(2-furoyl)piperazino]propanoylamino]methyl]benzoic acid methyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C21H25N3O5/c1-15(19(25)22-14-16-5-7-17(8-6-16)21(27)28-2)23-9-11-24(12-10-23)20(26)18-4-3-13-29-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,25)