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

Systemtic Name: 2-[4-phenyl-6-[3-(pyridin-2-ylamino)butanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-phenyl-6-[3-(2-pyridylamino)butanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[[1-oxo-3-(2-pyridinylamino)butyl]amino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-phenyl-6-[3-(pyridin-2-ylamino)butanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-phenyl-6-[3-(2-pyridylamino)butanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC2=C(C=C1)OC(CN2C3=CC=CC=C3)CC(=O)O)NC4=CC=CC=N4

Isomeric SMILES

CC(CC(=O)NC1=CC2=C(C=C1)OC(CN2C3=CC=CC=C3)CC(=O)O)NC4=CC=CC=N4

InChI

InChI=1S/C25H26N4O4/c1-17(27-23-9-5-6-12-26-23)13-24(30)28-18-10-11-22-21(14-18)29(19-7-3-2-4-8-19)16-20(33-22)15-25(31)32/h2-12,14,17,20H,13,15-16H2,1H3,(H,26,27)(H,28,30)(H,31,32)