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

Systemtic Name: 2-[4-methyl-6-[4-(pyridin-2-ylamino)butanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-methyl-6-[4-(2-pyridylamino)butanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[4-methyl-6-[[1-oxo-4-(2-pyridinylamino)butyl]amino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-methyl-6-[4-(pyridin-2-ylamino)butanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-methyl-6-[4-(2-pyridylamino)butanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C20H24N4O4 MolecularWeight: 384.42896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC(OC2=C1C=C(C=C2)NC(=O)CCCNC3=CC=CC=N3)CC(=O)O

Isomeric SMILES

CN1CC(OC2=C1C=C(C=C2)NC(=O)CCCNC3=CC=CC=N3)CC(=O)O

InChI

InChI=1S/C20H24N4O4/c1-24-13-15(12-20(26)27)28-17-8-7-14(11-16(17)24)23-19(25)6-4-10-22-18-5-2-3-9-21-18/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3,(H,21,22)(H,23,25)(H,26,27)