methyl 1-[2-(3-methyl-1H-pyrrol-2-yl)-2-oxidanyl-ethyl]-4-[phenyl(propanoyl)amino]piperidine-3-carboxylate

Systemtic Name: methyl 1-[2-(3-methyl-1H-pyrrol-2-yl)-2-oxidanyl-ethyl]-4-[phenyl(propanoyl)amino]piperidine-3-carboxylate Openeye Name: methyl 1-[2-hydroxy-2-(3-methyl-1H-pyrrol-2-yl)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate CAS Name: 1-[2-hydroxy-2-(3-methyl-1H-pyrrol-2-yl)ethyl]-4-[N-(1-oxopropyl)anilino]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-hydroxy-2-(3-methyl-1H-pyrrol-2-yl)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate Traditional Name: 1-[2-hydroxy-2-(3-methyl-1H-pyrrol-2-yl)ethyl]-4-(N-propionylanilino)nipecotic acid methyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(CC1C(=O)OC)CC(C2=C(C=CN2)C)O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)N(C1CCN(CC1C(=O)OC)CC(C2=C(C=CN2)C)O)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4/c1-4-21(28)26(17-8-6-5-7-9-17)19-11-13-25(14-18(19)23(29)30-3)15-20(27)22-16(2)10-12-24-22/h5-10,12,18-20,24,27H,4,11,13-15H2,1-3H3