ethyl 4-[butanoyl(phenyl)amino]-1-phenethyl-piperidine-4-carboxylate hydrochloride

Systemtic Name: ethyl 4-[butanoyl(phenyl)amino]-1-phenethyl-piperidine-4-carboxylate hydrochloride Openeye Name: ethyl 4-(N-butanoylanilino)-1-phenethyl-piperidine-4-carboxylate hydrochloride CAS Name: 4-[N-(1-oxobutyl)anilino]-1-phenethyl-4-piperidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-(N-butanoylanilino)-1-phenethylpiperidine-4-carboxylate hydrochloride Traditional Name: 4-(N-butyrylanilino)-1-phenethyl-isonipecotic acid ethyl ester hydrochloride Formula: C26H35ClN2O3 MolecularWeight: 459.0207

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OCC.Cl

Isomeric SMILES

CCCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OCC.Cl

InChI

InChI=1S/C26H34N2O3.ClH/c1-3-11-24(29)28(23-14-9-6-10-15-23)26(25(30)31-4-2)17-20-27(21-18-26)19-16-22-12-7-5-8-13-22;/h5-10,12-15H,3-4,11,16-21H2,1-2H3;1H