[2-[1-(4-methoxy-4-oxidanylidene-butyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(dimethylamino)benzoate

Systemtic Name: [2-[1-(4-methoxy-4-oxidanylidene-butyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(dimethylamino)benzoate Openeye Name: [2-[1-(4-methoxy-4-oxo-butyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic acid [2-[1-(4-methoxy-4-oxobutyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-methoxy-4-oxobutyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid [2-keto-2-[1-(4-keto-4-methoxy-butyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)COC(=O)C2=CC(=CC=C2)N(C)C

Isomeric SMILES

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)COC(=O)C2=CC(=CC=C2)N(C)C

InChI

InChI=1S/C22H28N2O5/c1-15-12-19(16(2)24(15)11-7-10-21(26)28-5)20(25)14-29-22(27)17-8-6-9-18(13-17)23(3)4/h6,8-9,12-13H,7,10-11,14H2,1-5H3