methyl 2-(3-indol-1-ylpropanoyloxymethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(3-indol-1-ylpropanoyloxymethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-(3-indol-1-ylpropanoyloxymethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[3-(1-indolyl)-1-oxopropoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-indol-1-ylpropanoyloxymethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-(3-indol-1-ylpropanoyloxymethyl)-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCN3C=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCN3C=CC4=CC=CC=C43

InChI

InChI=1S/C22H19N3O5/c1-29-22(28)15-6-7-16-17(12-15)23-19(24-21(16)27)13-30-20(26)9-11-25-10-8-14-4-2-3-5-18(14)25/h2-8,10,12H,9,11,13H2,1H3,(H,23,24,27)