2-[4-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[2-(1-pyrrolidinylmethyl)-4-quinazolinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[2-(pyrrolidinomethyl)quinazolin-4-yl]amino]phenyl]acetic acid Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

C1CCN(C1)CC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C21H22N4O2/c26-20(27)13-15-7-9-16(10-8-15)22-21-17-5-1-2-6-18(17)23-19(24-21)14-25-11-3-4-12-25/h1-2,5-10H,3-4,11-14H2,(H,26,27)(H,22,23,24)