methyl 4-[phenyl(propanoyl)amino]-1-(2-thiophen-3-ylethyl)piperidine-4-carboxylate

Systemtic Name: methyl 4-[phenyl(propanoyl)amino]-1-(2-thiophen-3-ylethyl)piperidine-4-carboxylate Openeye Name: methyl 4-(N-propanoylanilino)-1-[2-(3-thienyl)ethyl]piperidine-4-carboxylate CAS Name: 4-[N-(1-oxopropyl)anilino]-1-[2-(3-thiophenyl)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(N-propanoylanilino)-1-(2-thiophen-3-ylethyl)piperidine-4-carboxylate Traditional Name: 4-(N-propionylanilino)-1-[2-(3-thienyl)ethyl]isonipecotic acid methyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CSC=C3)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CSC=C3)C(=O)OC

InChI

InChI=1S/C22H28N2O3S/c1-3-20(25)24(19-7-5-4-6-8-19)22(21(26)27-2)11-14-23(15-12-22)13-9-18-10-16-28-17-18/h4-8,10,16-17H,3,9,11-15H2,1-2H3