[(3Z)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [(3Z)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [(3Z)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [(3Z)-2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [(3Z)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)C=C1C(C2=CC=CC=C2N1C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC(=O)/C=C\1/C(C2=CC=CC=C2N1C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4/c1-17(28)26-21(18-10-6-5-7-11-18)15-24(30)31-16-19(29)14-23-25(2,3)20-12-8-9-13-22(20)27(23)4/h5-14,21H,15-16H2,1-4H3,(H,26,28)/b23-14-/t21-/m1/s1