2-[4-[(quinazolin-4-ylamino)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(quinazolin-4-ylamino)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(quinazolin-4-ylamino)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(4-quinazolinylamino)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(quinazolin-4-ylamino)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(quinazolin-4-ylamino)methyl]phenyl]benzoic acid Formula: C22H17N3O2 MolecularWeight: 355.38928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CNC3=NC=NC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CNC3=NC=NC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C22H17N3O2/c26-22(27)18-6-2-1-5-17(18)16-11-9-15(10-12-16)13-23-21-19-7-3-4-8-20(19)24-14-25-21/h1-12,14H,13H2,(H,26,27)(H,23,24,25)