[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H28N2O4/c1-20-11-12-27(35-20)26-18-24(23-9-5-6-10-25(23)30-26)29(33)34-19-28(32)31-15-13-22(14-16-31)17-21-7-3-2-4-8-21/h2-12,18,22H,13-17,19H2,1H3