methyl (2S)-3-[1-(2-methylbut-3-yn-2-yl)-2,3-dihydroindol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[1-(2-methylbut-3-yn-2-yl)-2,3-dihydroindol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[1-(1,1-dimethylprop-2-ynyl)indolin-3-yl]propanoate CAS Name: (2S)-3-[1-(2-methylbut-3-yn-2-yl)-2,3-dihydroindol-3-yl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[1-(2-methylbut-3-yn-2-yl)-2,3-dihydroindol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[1-(1,1-dimethylprop-2-ynyl)indolin-3-yl]propionic acid methyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)N1CC(C2=CC=CC=C21)CC(C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C#C)N1CC(C2=CC=CC=C21)C[C@@H](C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4/c1-5-25(2,3)27-16-19(20-13-9-10-14-22(20)27)15-21(23(28)30-4)26-24(29)31-17-18-11-7-6-8-12-18/h1,6-14,19,21H,15-17H2,2-4H3,(H,26,29)/t19?,21-/m0/s1