[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 2-(2-amino-2-oxoethoxy)benzoic acid [2-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate Traditional Name: 2-(2-amino-2-keto-ethoxy)benzoic acid [2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC(=O)C2=CC=CC=C2OCC(=O)N

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC(=O)C2=CC=CC=C2OCC(=O)N

InChI

InChI=1S/C22H28N2O5/c1-14(2)9-10-24-15(3)11-18(16(24)4)19(25)12-29-22(27)17-7-5-6-8-20(17)28-13-21(23)26/h5-8,11,14H,9-10,12-13H2,1-4H3,(H2,23,26)