methyl 1-(1H-benzimidazol-2-ylmethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: methyl 1-(1H-benzimidazol-2-ylmethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl 1-(1H-benzimidazol-2-ylmethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylmethyl)-4-[N-(1-oxopropyl)anilino]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1H-benzimidazol-2-ylmethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylmethyl)-4-(N-propionylanilino)isonipecotic acid methyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=NC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C24H28N4O3/c1-3-22(29)28(18-9-5-4-6-10-18)24(23(30)31-2)13-15-27(16-14-24)17-21-25-19-11-7-8-12-20(19)26-21/h4-12H,3,13-17H2,1-2H3,(H,25,26)