[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate CAS Name: 4-(4-oxo-1H-quinazolin-2-yl)butanoic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)butyric acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C22H25N3O4/c1-4-25-14(2)12-17(15(25)3)19(26)13-29-21(27)11-7-10-20-23-18-9-6-5-8-16(18)22(28)24-20/h5-6,8-9,12H,4,7,10-11,13H2,1-3H3,(H,23,24,28)