(3,5-dimethylphenyl)methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (3,5-dimethylphenyl)methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3,5-dimethylphenyl)methyl 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 (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 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 (3,5-dimethylbenzyl) ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3/c1-13-8-14(2)10-15(9-13)12-26-21(25)16-5-6-17-18(11-16)22-19-4-3-7-23(19)20(17)24/h5-6,8-11H,3-4,7,12H2,1-2H3