ethyl 1-[2-[(5-bromanyl-2-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[(5-bromanyl-2-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(5-bromo-2-morpholino-anilino)-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[5-bromo-2-(4-morpholinyl)anilino]-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(5-bromo-2-morpholin-4-ylanilino)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-(5-bromo-2-morpholino-anilino)-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H26BrN3O4 MolecularWeight: 464.35284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=C(C=CC(=C2)Br)N3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=C(C=CC(=C2)Br)N3CCOCC3)C

InChI

InChI=1S/C21H26BrN3O4/c1-4-29-21(27)17-11-14(2)25(15(17)3)13-20(26)23-18-12-16(22)5-6-19(18)24-7-9-28-10-8-24/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,23,26)