[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-phenylmethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-phenylmethoxybenzoate Openeye Name: [2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 4-benzyloxybenzoate CAS Name: 4-phenylmethoxybenzoic acid [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-phenylmethoxybenzoate Traditional Name: 4-benzoxybenzoic acid [2-keto-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H27NO4/c1-20(12-13-21-8-4-2-5-9-21)27-25(28)19-31-26(29)23-14-16-24(17-15-23)30-18-22-10-6-3-7-11-22/h2-11,14-17,20H,12-13,18-19H2,1H3,(H,27,28)/t20-/m0/s1