methyl 1-(3-methoxy-3-oxidanylidene-propyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate hydrochloride

Systemtic Name: methyl 1-(3-methoxy-3-oxidanylidene-propyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate hydrochloride Openeye Name: methyl 1-(3-methoxy-3-oxo-propyl)-4-(N-propanoylanilino)piperidine-4-carboxylate hydrochloride CAS Name: 1-(3-methoxy-3-oxopropyl)-4-[N-(1-oxopropyl)anilino]-4-piperidinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 1-(3-methoxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate hydrochloride Traditional Name: 1-(3-keto-3-methoxy-propyl)-4-(N-propionylanilino)isonipecotic acid methyl ester hydrochloride Formula: C20H29ClN2O5 MolecularWeight: 418.863589

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC.Cl

Isomeric SMILES

CCC(=O)N([13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC.Cl

InChI

InChI=1S/C20H28N2O5.ClH/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2;/h5-9H,4,10-15H2,1-3H3;1H/i5+1,6+1,7+1,8+1,9+1,16+1;