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

Systemtic Name: methyl 4-[[4-[furan-2-ylmethyl(pyridin-3-ylcarbonyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[2-furylmethyl(pyridine-3-carbonyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[2-furanylmethyl-[oxo(3-pyridinyl)methyl]amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[furan-2-ylmethyl(pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-furfuryl(nicotinoyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CC=CO3)C(=O)C4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CC=CO3)C(=O)C4=CN=CC=C4

InChI

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