[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-phenethylbenzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-phenethylbenzoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC=CC=C1CCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=CC=CC=C1CCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO3/c1-3-16(2)22-20(23)15-25-21(24)19-12-8-7-11-18(19)14-13-17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,22,23)/t16-/m0/s1