butyl 4-[2-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2S)-3-keto-2-methyl-1,4-benzoxazin-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3OC(C2=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3O[C@H](C2=O)C

InChI

InChI=1S/C22H24N2O5/c1-3-4-13-28-22(27)16-9-11-17(12-10-16)23-20(25)14-24-18-7-5-6-8-19(18)29-15(2)21(24)26/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25)/t15-/m0/s1