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

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: 2-(3,5-dimethylphenoxy)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-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 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-(3,5-dimethylphenoxy)ethyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-14-10-15(2)12-17(11-14)27-8-9-28-22(26)16-5-6-18-19(13-16)23-20-4-3-7-24(20)21(18)25/h5-6,10-13H,3-4,7-9H2,1-2H3