4-[[(2S)-2-ethyl-3-oxidanylidene-4-propyl-1,4-benzoxazin-7-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(2S)-2-ethyl-3-oxidanylidene-4-propyl-1,4-benzoxazin-7-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(2S)-2-ethyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S)-2-ethyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2S)-2-ethyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(2S)-2-ethyl-3-keto-4-propyl-1,4-benzoxazin-7-yl]amino]-4-keto-butyrate Formula: C17H21N2O5- MolecularWeight: 333.35904

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)CCC(=O)[O-])OC(C1=O)CC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)CCC(=O)[O-])O[C@H](C1=O)CC

InChI

InChI=1S/C17H22N2O5/c1-3-9-19-12-6-5-11(18-15(20)7-8-16(21)22)10-14(12)24-13(4-2)17(19)23/h5-6,10,13H,3-4,7-9H2,1-2H3,(H,18,20)(H,21,22)/p-1/t13-/m0/s1