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

Systemtic Name: methyl 3-[2-[3-[2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[2-(8-methyl-4-oxo-quinazolin-3-yl)acetyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[2-(8-methyl-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[2-(4-keto-8-methyl-quinazolin-3-yl)acetyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21N3O4/c1-18-6-3-11-23-25(18)28-17-30(26(23)32)16-24(31)29-22-10-5-8-20(15-22)13-12-19-7-4-9-21(14-19)27(33)34-2/h3-11,14-15,17H,16H2,1-2H3,(H,29,31)