methyl 4-[[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]methyl]benzoate Openeye Name: methyl 4-[[4-(8-methyl-4-oxo-quinazolin-3-yl)butanoylamino]methyl]benzoate CAS Name: 4-[[[4-(8-methyl-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]methyl]benzoate Traditional Name: 4-[[4-(4-keto-8-methyl-quinazolin-3-yl)butanoylamino]methyl]benzoic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H23N3O4/c1-15-5-3-6-18-20(15)24-14-25(21(18)27)12-4-7-19(26)23-13-16-8-10-17(11-9-16)22(28)29-2/h3,5-6,8-11,14H,4,7,12-13H2,1-2H3,(H,23,26)