[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(4-acetyloxyphenyl)benzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(4-acetyloxyphenyl)benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 3-(4-acetoxyphenyl)benzoate CAS Name: 3-(4-acetyloxyphenyl)benzoic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 3-(4-acetyloxyphenyl)benzoate Traditional Name: 3-(4-acetoxyphenyl)benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)OC(=O)C

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)OC(=O)C

InChI

InChI=1S/C21H23NO5/c1-4-14(2)22-20(24)13-26-21(25)18-7-5-6-17(12-18)16-8-10-19(11-9-16)27-15(3)23/h5-12,14H,4,13H2,1-3H3,(H,22,24)/t14-/m0/s1