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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)NC2=CC=C(C=C2)N3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)NC2=CC=C(C=C2)N3CCCC3)C

InChI

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