4-[methyl-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]amino]benzoic acid

Systemtic Name: 4-[methyl-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]amino]benzoic acid Openeye Name: 4-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoic acid CAS Name: 4-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoic acid IUPAC Name: 4-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoic acid Traditional Name: 4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-methyl-amino]benzoic acid Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H17N3O3/c1-11-19-16-8-3-12(9-15(16)17(22)20-11)10-21(2)14-6-4-13(5-7-14)18(23)24/h3-9H,10H2,1-2H3,(H,23,24)(H,19,20,22)