O4-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-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-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester O2-ethyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC=C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC=C)C)C

InChI

InChI=1S/C21H26N2O5/c1-7-9-23-12(3)10-16(15(23)6)17(24)11-28-20(25)18-13(4)19(22-14(18)5)21(26)27-8-2/h7,10,22H,1,8-9,11H2,2-6H3