[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(2,6-diisopropylanilino)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-(2,6-diisopropylanilino)-2-keto-ethyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-16(2)20-12-9-13-21(17(3)4)25(20)27-23(29)15-31-24(30)14-22(26-18(5)28)19-10-7-6-8-11-19/h6-13,16-17,22H,14-15H2,1-5H3,(H,26,28)(H,27,29)/t22-/m1/s1