[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C27H27NO4 MolecularWeight: 429.50758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC(C)C(=O)NCC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O[C@@H](C)C(=O)NC[C@@H](C)C3=CC=CC=C3

InChI

InChI=1S/C27H27NO4/c1-18-13-15-22(16-14-18)25(29)23-11-7-8-12-24(23)27(31)32-20(3)26(30)28-17-19(2)21-9-5-4-6-10-21/h4-16,19-20H,17H2,1-3H3,(H,28,30)/t19-,20+/m1/s1