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

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

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)NC(=O)CCCNC4=CC=CC=N4)CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)NC(=O)CCCNC4=CC=CC=N4)CC(=O)O

InChI

InChI=1S/C25H26N4O4/c30-24(10-6-14-27-23-9-4-5-13-26-23)28-18-11-12-22-21(15-18)29(19-7-2-1-3-8-19)17-20(33-22)16-25(31)32/h1-5,7-9,11-13,15,20H,6,10,14,16-17H2,(H,26,27)(H,28,30)(H,31,32)