2-[4-[[[2-(butylamino)quinazolin-4-yl]amino]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[[2-(butylamino)quinazolin-4-yl]amino]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[[2-(butylamino)quinazolin-4-yl]amino]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[[2-(butylamino)-4-quinazolinyl]amino]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[[2-(butylamino)quinazolin-4-yl]amino]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[[2-(butylamino)quinazolin-4-yl]amino]methyl]phenyl]benzoic acid Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=CC=CC=C2C(=N1)NCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCNC1=NC2=CC=CC=C2C(=N1)NCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C26H26N4O2/c1-2-3-16-27-26-29-23-11-7-6-10-22(23)24(30-26)28-17-18-12-14-19(15-13-18)20-8-4-5-9-21(20)25(31)32/h4-15H,2-3,16-17H2,1H3,(H,31,32)(H2,27,28,29,30)