[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-pentoxybenzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-pentoxybenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C23H23N3O4/c1-2-3-6-15-29-18-11-9-17(10-12-18)23(28)30-16-21-25-20-8-5-4-7-19(20)22(27)26(21)14-13-24/h4-5,7-12H,2-3,6,14-16H2,1H3