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

Systemtic Name: [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2,3-dimethoxybenzoate Openeye Name: [2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2,3-dimethoxybenzoate CAS Name: 2,3-dimethoxybenzoic 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] 2,3-dimethoxybenzoate Traditional Name: 2,3-dimethoxybenzoic acid [2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC(=O)C2=C(C(=CC=C2)OC)OC

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC(=O)C2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C22H29NO5/c1-14(2)10-11-23-15(3)12-18(16(23)4)19(24)13-28-22(25)17-8-7-9-20(26-5)21(17)27-6/h7-9,12,14H,10-11,13H2,1-6H3