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

Systemtic Name: 2-[4-methyl-6-[5-(pyridin-2-ylamino)pentanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-methyl-6-[5-(2-pyridylamino)pentanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[4-methyl-6-[[1-oxo-5-(2-pyridinylamino)pentyl]amino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-methyl-6-[5-(pyridin-2-ylamino)pentanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-methyl-6-[5-(2-pyridylamino)pentanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(OC2=C1C=C(C=C2)NC(=O)CCCCNC3=CC=CC=N3)CC(=O)O

Isomeric SMILES

CN1CC(OC2=C1C=C(C=C2)NC(=O)CCCCNC3=CC=CC=N3)CC(=O)O

InChI

InChI=1S/C21H26N4O4/c1-25-14-16(13-21(27)28)29-18-9-8-15(12-17(18)25)24-20(26)7-3-5-11-23-19-6-2-4-10-22-19/h2,4,6,8-10,12,16H,3,5,7,11,13-14H2,1H3,(H,22,23)(H,24,26)(H,27,28)