4-[[(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)amino]methyl]benzoic acid CAS Name: 4-[[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-keto-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)amino]methyl]benzoic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N=C(N2)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=O)N=C(N2)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H17N3O3/c20-14-12-3-1-2-4-13(12)18-16(19-14)17-9-10-5-7-11(8-6-10)15(21)22/h5-8H,1-4,9H2,(H,21,22)(H2,17,18,19,20)