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

Systemtic Name: methyl 1-(2-imidazol-1-ylethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl 1-(2-imidazol-1-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: 1-[2-(1-imidazolyl)ethyl]-4-[N-(1-oxopropyl)anilino]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-imidazol-1-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: 1-(2-imidazol-1-ylethyl)-4-(N-propionylanilino)isonipecotic acid methyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C=CN=C3)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C=CN=C3)C(=O)OC

InChI

InChI=1S/C21H28N4O3/c1-3-19(26)25(18-7-5-4-6-8-18)21(20(27)28-2)9-12-23(13-10-21)15-16-24-14-11-22-17-24/h4-8,11,14,17H,3,9-10,12-13,15-16H2,1-2H3