4-[[(2R)-2-ethyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(2R)-2-ethyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(2R)-2-ethyl-4-isopropyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(2R)-2-ethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2R)-2-ethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(2R)-2-ethyl-4-isopropyl-3-keto-1,4-benzoxazin-6-yl]amino]-4-keto-butyrate Formula: C17H21N2O5- MolecularWeight: 333.35904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)[O-])C(C)C

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)[O-])C(C)C

InChI

InChI=1S/C17H22N2O5/c1-4-13-17(23)19(10(2)3)12-9-11(5-6-14(12)24-13)18-15(20)7-8-16(21)22/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,18,20)(H,21,22)/p-1/t13-/m1/s1