methyl 2-methoxy-5-[[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[[1-oxo-4-(4-oxo-1H-quinazolin-2-yl)butyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]methyl]benzoate Traditional Name: 5-[[4-(4-keto-1H-quinazolin-2-yl)butanoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C22H23N3O5/c1-29-18-11-10-14(12-16(18)22(28)30-2)13-23-20(26)9-5-8-19-24-17-7-4-3-6-15(17)21(27)25-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3,(H,23,26)(H,24,25,27)