methyl 1-[2-(1-methylpyrrol-2-yl)ethyl]-4-[(2-propanoylphenyl)amino]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(1-methylpyrrol-2-yl)ethyl]-4-[(2-propanoylphenyl)amino]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propanoylanilino)piperidine-4-carboxylate CAS Name: 1-[2-(1-methyl-2-pyrrolyl)ethyl]-4-[2-(1-oxopropyl)anilino]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propanoylanilino)piperidine-4-carboxylate Traditional Name: 1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propionylanilino)isonipecotic acid methyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1NC2(CCN(CC2)CCC3=CC=CN3C)C(=O)OC

Isomeric SMILES

CCC(=O)C1=CC=CC=C1NC2(CCN(CC2)CCC3=CC=CN3C)C(=O)OC

InChI

InChI=1S/C23H31N3O3/c1-4-21(27)19-9-5-6-10-20(19)24-23(22(28)29-3)12-16-26(17-13-23)15-11-18-8-7-14-25(18)2/h5-10,14,24H,4,11-13,15-17H2,1-3H3