methyl 4-[3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[2-furylmethyl(3-pyridylmethyl)amino]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[2-furanylmethyl(3-pyridinylmethyl)amino]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[2-furfuryl(3-pyridylmethyl)amino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN(CC2=CN=CC=C2)CC3=CC=CO3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CN(CC2=CN=CC=C2)CC3=CC=CO3)O

InChI

InChI=1S/C22H24N2O5/c1-27-22(26)18-6-8-20(9-7-18)29-16-19(25)14-24(15-21-5-3-11-28-21)13-17-4-2-10-23-12-17/h2-12,19,25H,13-16H2,1H3