methyl 3,5-dimethyl-4-[2-(pyridin-3-ylmethylamino)propanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3,5-dimethyl-4-[2-(pyridin-3-ylmethylamino)propanoyl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 3,5-dimethyl-4-[2-(3-pyridylmethylamino)propanoyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[1-oxo-2-(3-pyridinylmethylamino)propyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3,5-dimethyl-4-[2-(pyridin-3-ylmethylamino)propanoyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[2-(3-pyridylmethylamino)propanoyl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C(C)NCC2=CN=CC=C2)C)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C(C)NCC2=CN=CC=C2)C)C(=O)OC

InChI

InChI=1S/C17H21N3O3/c1-10-14(11(2)20-15(10)17(22)23-4)16(21)12(3)19-9-13-6-5-7-18-8-13/h5-8,12,19-20H,9H2,1-4H3