methyl 1-[2-(2-methanoylpyrrol-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(2-methanoylpyrrol-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2-formylpyrrol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: 1-[2-(2-formyl-1-pyrrolyl)ethyl]-4-[N-(1-oxopropyl)anilino]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-formylpyrrol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: 1-[2-(2-formylpyrrol-1-yl)ethyl]-4-(N-propionylanilino)isonipecotic acid methyl ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C=CC=C3C=O)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C=CC=C3C=O)C(=O)OC

InChI

InChI=1S/C23H29N3O4/c1-3-21(28)26(19-8-5-4-6-9-19)23(22(29)30-2)11-14-24(15-12-23)16-17-25-13-7-10-20(25)18-27/h4-10,13,18H,3,11-12,14-17H2,1-2H3