[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 1-phenylcyclopentane-1-carboxylate

Systemtic Name: [(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 1-phenylcyclopentane-1-carboxylate Openeye Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 1-phenylcyclopentanecarboxylate CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 1-phenylcyclopentane-1-carboxylate Traditional Name: 1-phenylcyclopentanecarboxylic acid [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3(CCCC3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3(CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3/c1-15(19-23-18-12-6-5-11-17(18)20(25)24-19)27-21(26)22(13-7-8-14-22)16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,23,24,25)/t15-/m0/s1