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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3

InChI

InChI=1S/C22H22N2O3/c1-3-14(2)15-6-9-17(10-7-15)27-22(26)16-8-11-18-19(13-16)23-20-5-4-12-24(20)21(18)25/h6-11,13-14H,3-5,12H2,1-2H3/t14-/m0/s1