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

Systemtic Name: methyl 3-[2-[3-[3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[3-(8-methyl-4-oxo-quinazolin-3-yl)propanoylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[3-(8-methyl-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[3-(4-keto-8-methyl-quinazolin-3-yl)propanoylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C28H23N3O4 MolecularWeight: 465.49992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23N3O4/c1-19-6-3-11-24-26(19)29-18-31(27(24)33)15-14-25(32)30-23-10-5-8-21(17-23)13-12-20-7-4-9-22(16-20)28(34)35-2/h3-11,16-18H,14-15H2,1-2H3,(H,30,32)