2-[4-[[[2-(3-methylbutylamino)quinazolin-4-yl]amino]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[[2-(3-methylbutylamino)quinazolin-4-yl]amino]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[[2-(isopentylamino)quinazolin-4-yl]amino]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[[2-(3-methylbutylamino)-4-quinazolinyl]amino]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[[2-(3-methylbutylamino)quinazolin-4-yl]amino]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[[2-(isoamylamino)quinazolin-4-yl]amino]methyl]phenyl]benzoic acid Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC2=CC=CC=C2C(=N1)NCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C)CCNC1=NC2=CC=CC=C2C(=N1)NCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H28N4O2/c1-18(2)15-16-28-27-30-24-10-6-5-9-23(24)25(31-27)29-17-19-11-13-20(14-12-19)21-7-3-4-8-22(21)26(32)33/h3-14,18H,15-17H2,1-2H3,(H,32,33)(H2,28,29,30,31)