[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-indolin-1-yl-2-oxo-ethyl) (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid (2-indolin-1-yl-2-keto-ethyl) ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N1CCC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H32N2O4/c1-17(2)23(27-24(30)19-10-12-20(13-11-19)26(3,4)5)25(31)32-16-22(29)28-15-14-18-8-6-7-9-21(18)28/h6-13,17,23H,14-16H2,1-5H3,(H,27,30)/t23-/m0/s1