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

Systemtic Name: methyl 4-[[4-[(3-ethanoylphenyl)carbamoyl-(furan-2-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(3-acetylphenyl)carbamoyl-(2-furylmethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[[(3-acetylanilino)-oxomethyl]-(2-furanylmethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(3-acetylphenyl)carbamoyl-(furan-2-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(3-acetylphenyl)carbamoyl-(2-furfuryl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N(CC2=CC=CO2)C3CCN(CC3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N(CC2=CC=CO2)C3CCN(CC3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C28H31N3O5/c1-20(32)23-5-3-6-24(17-23)29-28(34)31(19-26-7-4-16-36-26)25-12-14-30(15-13-25)18-21-8-10-22(11-9-21)27(33)35-2/h3-11,16-17,25H,12-15,18-19H2,1-2H3,(H,29,34)