O4-[(2R)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[(2R)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[(1R)-2-[4-(dimethylamino)anilino]-1-methyl-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] ester O2-ethyl ester IUPAC Name: 4-O-[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[(1R)-2-[4-(dimethylamino)anilino]-2-keto-1-methyl-ethyl] ester O2-ethyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)N(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)N(C)C)C

InChI

InChI=1S/C21H27N3O5/c1-7-28-21(27)18-12(2)17(13(3)22-18)20(26)29-14(4)19(25)23-15-8-10-16(11-9-15)24(5)6/h8-11,14,22H,7H2,1-6H3,(H,23,25)/t14-/m1/s1