2-[4-phenyl-6-[5-(pyridin-2-ylamino)pentanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-phenyl-6-[5-(pyridin-2-ylamino)pentanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-phenyl-6-[5-(2-pyridylamino)pentanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[[1-oxo-5-(2-pyridinylamino)pentyl]amino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-phenyl-6-[5-(pyridin-2-ylamino)pentanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-phenyl-6-[5-(2-pyridylamino)pentanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)NC(=O)CCCCNC4=CC=CC=N4)CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)NC(=O)CCCCNC4=CC=CC=N4)CC(=O)O

InChI

InChI=1S/C26H28N4O4/c31-25(11-5-7-15-28-24-10-4-6-14-27-24)29-19-12-13-23-22(16-19)30(20-8-2-1-3-9-20)18-21(34-23)17-26(32)33/h1-4,6,8-10,12-14,16,21H,5,7,11,15,17-18H2,(H,27,28)(H,29,31)(H,32,33)