[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4/c1-3-13(2)21-18(23)12-25-20(24)15-9-10-17-16(11-15)19(26-22-17)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,21,23)/t13-/m0/s1