[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: [2-(2,4-dimethylanilino)-2-oxo-ethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid [2-(2,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylanilino)-2-oxoethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: 9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid [2-(2,4-dimethylanilino)-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)C

InChI

InChI=1S/C22H21N3O4/c1-13-5-8-17(14(2)10-13)24-20(26)12-29-22(28)15-6-7-16-18(11-15)23-19-4-3-9-25(19)21(16)27/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,24,26)