methyl 2,4-dimethyl-5-[(2S)-2-[(4-piperidin-1-ylphenyl)amino]propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-[(4-piperidin-1-ylphenyl)amino]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(2S)-2-[4-(1-piperidyl)anilino]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-[4-(1-piperidinyl)anilino]propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2S)-2-(4-piperidin-1-ylanilino)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-(4-piperidinoanilino)propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)NC2=CC=C(C=C2)N3CCCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)NC2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C22H29N3O3/c1-14-19(22(27)28-4)15(2)24-20(14)21(26)16(3)23-17-8-10-18(11-9-17)25-12-6-5-7-13-25/h8-11,16,23-24H,5-7,12-13H2,1-4H3/t16-/m0/s1