methyl 4-[[4-[furan-2-ylcarbonyl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[furan-2-ylcarbonyl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[furan-2-carbonyl(3-pyridylmethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[[2-furanyl(oxo)methyl]-(3-pyridinylmethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[furan-2-carbonyl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-furoyl(3-pyridylmethyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CN=CC=C3)C(=O)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CN=CC=C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H27N3O4/c1-31-25(30)21-8-6-19(7-9-21)17-27-13-10-22(11-14-27)28(18-20-4-2-12-26-16-20)24(29)23-5-3-15-32-23/h2-9,12,15-16,22H,10-11,13-14,17-18H2,1H3