methyl 2-[4-(1H-indol-3-yl)butanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[4-(1H-indol-3-yl)butanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[4-(1H-indol-3-yl)butanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-(1H-indol-3-yl)-1-oxobutoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(1H-indol-3-yl)butanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[4-(1H-indol-3-yl)butanoyloxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H21N3O5/c1-30-23(29)14-9-10-17-19(11-14)25-20(26-22(17)28)13-31-21(27)8-4-5-15-12-24-18-7-3-2-6-16(15)18/h2-3,6-7,9-12,24H,4-5,8,13H2,1H3,(H,25,26,28)