(3-methyl-4-propan-2-yl-phenyl) 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (4-isopropyl-3-methyl-phenyl) 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-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 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 (4-isopropyl-3-methyl-phenyl) ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-13(2)17-9-7-16(11-14(17)3)27-22(26)15-6-8-18-19(12-15)23-20-5-4-10-24(20)21(18)25/h6-9,11-13H,4-5,10H2,1-3H3