methyl 4-[[4-[1,3-benzodioxol-5-ylcarbonyl(furan-2-ylmethyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[1,3-benzodioxol-5-ylcarbonyl(furan-2-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[1,3-benzodioxole-5-carbonyl(2-furylmethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[[1,3-benzodioxol-5-yl(oxo)methyl]-(2-furanylmethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[1,3-benzodioxole-5-carbonyl(furan-2-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-furfuryl(piperonyloyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C27H28N2O6 MolecularWeight: 476.52102

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=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CC=CO3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H28N2O6/c1-32-27(31)20-6-4-19(5-7-20)16-28-12-10-22(11-13-28)29(17-23-3-2-14-33-23)26(30)21-8-9-24-25(15-21)35-18-34-24/h2-9,14-15,22H,10-13,16-18H2,1H3