1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)N4C=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)N4C=CC=C4

InChI

InChI=1S/C22H19N3O3/c1-14-9-10-16(13-19(14)25-11-5-6-12-25)22(27)28-15(2)20-23-18-8-4-3-7-17(18)21(26)24-20/h3-13,15H,1-2H3,(H,23,24,26)