4-[4-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)methylamino]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)methylamino]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]phenyl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[(1-keto-3-methyl-4H-benzo[f]quinazolin-9-yl)methylamino]phenyl]butyric acid Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)CNC4=CC=C(C=C4)C(=O)CCC(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)CNC4=CC=C(C=C4)C(=O)CCC(=O)O

InChI

InChI=1S/C24H21N3O4/c1-14-26-20-9-6-16-3-2-15(12-19(16)23(20)24(31)27-14)13-25-18-7-4-17(5-8-18)21(28)10-11-22(29)30/h2-9,12,25H,10-11,13H2,1H3,(H,29,30)(H,26,27,31)