methyl 3-[2-[3-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[4-(8-methyl-4-oxo-quinazolin-3-yl)butanoylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[4-(8-methyl-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[4-(4-keto-8-methyl-quinazolin-3-yl)butanoylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C29H25N3O4 MolecularWeight: 479.5265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NC3=CC=CC(=C3)C#CC4=CC(=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NC3=CC=CC(=C3)C#CC4=CC(=CC=C4)C(=O)OC

InChI

InChI=1S/C29H25N3O4/c1-20-7-3-12-25-27(20)30-19-32(28(25)34)16-6-13-26(33)31-24-11-5-9-22(18-24)15-14-21-8-4-10-23(17-21)29(35)36-2/h3-5,7-12,17-19H,6,13,16H2,1-2H3,(H,31,33)