methyl 2-methyl-5-[(2-morpholin-4-ylpyridin-3-yl)methylcarbamoyl]-4-propyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(2-morpholin-4-ylpyridin-3-yl)methylcarbamoyl]-4-propyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-methyl-5-[(2-morpholino-3-pyridyl)methylcarbamoyl]-4-propyl-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-5-[[[2-(4-morpholinyl)-3-pyridinyl]methylamino]-oxomethyl]-4-propyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(2-morpholin-4-ylpyridin-3-yl)methylcarbamoyl]-4-propyl-1H-pyrrole-3-carboxylate Traditional Name: 2-methyl-5-[(2-morpholino-3-pyridyl)methylcarbamoyl]-4-propyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=C1C(=O)OC)C)C(=O)NCC2=C(N=CC=C2)N3CCOCC3

Isomeric SMILES

CCCC1=C(NC(=C1C(=O)OC)C)C(=O)NCC2=C(N=CC=C2)N3CCOCC3

InChI

InChI=1S/C21H28N4O4/c1-4-6-16-17(21(27)28-3)14(2)24-18(16)20(26)23-13-15-7-5-8-22-19(15)25-9-11-29-12-10-25/h5,7-8,24H,4,6,9-13H2,1-3H3,(H,23,26)