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

Systemtic Name: methyl 3-[2-[3-[4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[4-(2-methyl-4-oxo-quinazolin-3-yl)butanoylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[4-(2-methyl-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[4-(2-methyl-4-oxoquinazolin-3-yl)butanoylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[4-(4-keto-2-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=NC2=CC=CC=C2C(=O)N1CCCC(=O)NC3=CC=CC(=C3)C#CC4=CC(=CC=C4)C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)NC3=CC=CC(=C3)C#CC4=CC(=CC=C4)C(=O)OC

InChI

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