[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)ethanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-indan-5-yloxyacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-yloxy)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate Traditional Name: 2-indan-5-yloxyacetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)OCC(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)OCC(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C22H19N3O4/c23-10-11-25-20(24-19-7-2-1-6-18(19)22(25)27)13-29-21(26)14-28-17-9-8-15-4-3-5-16(15)12-17/h1-2,6-9,12H,3-5,11,13-14H2