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

Systemtic Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(2-methylindolin-1-yl)-2-oxo-ethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-fluorobenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(2-methylindolin-1-yl)ethyl] ester Formula: C23H25FN2O4 MolecularWeight: 412.454003

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C(C(C)C)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H25FN2O4/c1-14(2)21(25-22(28)16-8-10-18(24)11-9-16)23(29)30-13-20(27)26-15(3)12-17-6-4-5-7-19(17)26/h4-11,14-15,21H,12-13H2,1-3H3,(H,25,28)/t15?,21-/m0/s1