[(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-4-methoxy-benzoate

Systemtic Name: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OC(C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)O[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C)OC

InChI

InChI=1S/C22H27NO6/c1-7-28-11-17-10-16(8-9-18(17)27-6)22(26)29-15(5)21(25)20-12(2)19(14(4)24)13(3)23-20/h8-10,15,23H,7,11H2,1-6H3/t15-/m1/s1