2-[(2S)-4-[2-(butylamino)-2-oxidanylidene-ethyl]-6-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2S)-4-[2-(butylamino)-2-oxidanylidene-ethyl]-6-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-[2-(butylamino)-2-oxo-ethyl]-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-[2-(butylamino)-2-oxoethyl]-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-[2-(butylamino)-2-oxoethyl]-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-[2-(butylamino)-2-keto-ethyl]-3-keto-6-methyl-1,4-benzoxazin-2-yl]acetate Formula: C17H21N2O5- MolecularWeight: 333.35904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C2=C(C=CC(=C2)C)OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CCCCNC(=O)CN1C2=C(C=CC(=C2)C)O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C17H22N2O5/c1-3-4-7-18-15(20)10-19-12-8-11(2)5-6-13(12)24-14(17(19)23)9-16(21)22/h5-6,8,14H,3-4,7,9-10H2,1-2H3,(H,18,20)(H,21,22)/p-1/t14-/m0/s1