O4-methyl O2-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-methyl O2-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-methyl O2-[2-(4-morpholinoanilino)-2-oxo-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-[2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: 4-O-methyl 2-O-[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-keto-2-(4-morpholinoanilino)ethyl] ester O4-methyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H25N3O6/c1-13-18(20(26)28-3)14(2)22-19(13)21(27)30-12-17(25)23-15-4-6-16(7-5-15)24-8-10-29-11-9-24/h4-7,22H,8-12H2,1-3H3,(H,23,25)