2-[4-phenyl-6-[3-(pyridin-2-ylamino)propanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-phenyl-6-[3-(pyridin-2-ylamino)propanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-phenyl-6-[3-(2-pyridylamino)propanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[[1-oxo-3-(2-pyridinylamino)propyl]amino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-phenyl-6-[3-(pyridin-2-ylamino)propanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-phenyl-6-[3-(2-pyridylamino)propanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C24H24N4O4 MolecularWeight: 432.47176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)NC(=O)CCNC4=CC=CC=N4)CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)NC(=O)CCNC4=CC=CC=N4)CC(=O)O

InChI

InChI=1S/C24H24N4O4/c29-23(11-13-26-22-8-4-5-12-25-22)27-17-9-10-21-20(14-17)28(18-6-2-1-3-7-18)16-19(32-21)15-24(30)31/h1-10,12,14,19H,11,13,15-16H2,(H,25,26)(H,27,29)(H,30,31)