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

Systemtic Name: 2-[4-methyl-6-[3-(pyridin-2-ylamino)propanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-methyl-6-[3-(2-pyridylamino)propanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[4-methyl-6-[[1-oxo-3-(2-pyridinylamino)propyl]amino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-methyl-6-[3-(pyridin-2-ylamino)propanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-methyl-6-[3-(2-pyridylamino)propanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(OC2=C1C=C(C=C2)NC(=O)CCNC3=CC=CC=N3)CC(=O)O

Isomeric SMILES

CN1CC(OC2=C1C=C(C=C2)NC(=O)CCNC3=CC=CC=N3)CC(=O)O

InChI

InChI=1S/C19H22N4O4/c1-23-12-14(11-19(25)26)27-16-6-5-13(10-15(16)23)22-18(24)7-9-21-17-4-2-3-8-20-17/h2-6,8,10,14H,7,9,11-12H2,1H3,(H,20,21)(H,22,24)(H,25,26)