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

Systemtic Name: methyl 4-[phenyl(propanoyl)amino]-1-(2-pyrrol-1-ylethyl)piperidine-4-carboxylate Openeye Name: methyl 4-(N-propanoylanilino)-1-(2-pyrrol-1-ylethyl)piperidine-4-carboxylate CAS Name: 4-[N-(1-oxopropyl)anilino]-1-[2-(1-pyrrolyl)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(N-propanoylanilino)-1-(2-pyrrol-1-ylethyl)piperidine-4-carboxylate Traditional Name: 4-(N-propionylanilino)-1-(2-pyrrol-1-ylethyl)isonipecotic acid methyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-3-20(26)25(19-9-5-4-6-10-19)22(21(27)28-2)11-15-24(16-12-22)18-17-23-13-7-8-14-23/h4-10,13-14H,3,11-12,15-18H2,1-2H3