(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-pyrrol-1-ylbenzoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-pyrrol-1-ylbenzoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C21H17N3O3/c1-14-6-4-9-17-19(14)22-18(23-20(17)25)13-27-21(26)15-7-5-8-16(12-15)24-10-2-3-11-24/h2-12H,13H2,1H3,(H,22,23,25)