[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-pyrrol-1-ylbenzoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-pyrrol-1-ylbenzoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C21H17N3O3/c1-14(19-22-18-10-3-2-9-17(18)20(25)23-19)27-21(26)15-7-6-8-16(13-15)24-11-4-5-12-24/h2-14H,1H3,(H,22,23,25)/t14-/m1/s1