methyl 4-phenyl-2-[2-[4-(phenylmethyl)piperidin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-phenyl-2-[2-[4-(phenylmethyl)piperidin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-benzyl-1-piperidyl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzylpiperidino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3S/c1-31-26(30)24-22(21-10-6-3-7-11-21)18-32-25(24)27-23(29)17-28-14-12-20(13-15-28)16-19-8-4-2-5-9-19/h2-11,18,20H,12-17H2,1H3,(H,27,29)