2-methyl-3-(2-methylphenyl)quinazolin-4-one; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid

Systemtic Name: 2-methyl-3-(2-methylphenyl)quinazolin-4-one; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid Openeye Name: 2-methyl-3-(o-tolyl)quinazolin-4-one; (2S)-5-oxopyrrolidine-2-carboxylic acid CAS Name: 2-methyl-3-(2-methylphenyl)-4-quinazolinone; (2S)-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: 2-methyl-3-(2-methylphenyl)quinazolin-4-one; (2S)-5-oxopyrrolidine-2-carboxylic acid Traditional Name: (2S)-5-ketoproline; 2-methyl-3-(o-tolyl)quinazolin-4-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C.C1CC(=O)NC1C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C.C1CC(=O)N[C@@H]1C(=O)O

InChI

InChI=1S/C16H14N2O.C5H7NO3/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19;7-4-2-1-3(6-4)5(8)9/h3-10H,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)/t;3-/m.0/s1