4-[[(2R)-4-(2-dimethylaminoethyl)-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2R)-4-(2-dimethylaminoethyl)-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(2R)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2R)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2R)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(2R)-4-(2-dimethylaminoethyl)-3-keto-2-methyl-1,4-benzoxazin-6-yl]amino]-4-keto-butyric acid Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)O)CCN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5/c1-11-17(24)20(9-8-19(2)3)13-10-12(4-5-14(13)25-11)18-15(21)6-7-16(22)23/h4-5,10-11H,6-9H2,1-3H3,(H,18,21)(H,22,23)/t11-/m1/s1