[4-[butanoyl(phenyl)amino]-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl butanoate

Systemtic Name: [4-[butanoyl(phenyl)amino]-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl butanoate Openeye Name: [4-(N-butanoylanilino)-1-[2-(2-thienyl)ethyl]-4-piperidyl]methyl butanoate CAS Name: butanoic acid [4-[N-(1-oxobutyl)anilino]-1-(2-thiophen-2-ylethyl)-4-piperidinyl]methyl ester IUPAC Name: [4-(N-butanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl butanoate Traditional Name: butyric acid [4-(N-butyrylanilino)-1-[2-(2-thienyl)ethyl]-4-piperidyl]methyl ester Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC(=O)CCC

Isomeric SMILES

CCCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC(=O)CCC

InChI

InChI=1S/C26H36N2O3S/c1-3-9-24(29)28(22-11-6-5-7-12-22)26(21-31-25(30)10-4-2)15-18-27(19-16-26)17-14-23-13-8-20-32-23/h5-8,11-13,20H,3-4,9-10,14-19,21H2,1-2H3