tert-butyl (3S)-3-[(4-fluorophenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxidanylidene-3-phenyl-indole-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(4-fluorophenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxidanylidene-3-phenyl-indole-1-carboxylate Openeye Name: tert-butyl (3S)-3-[(tert-butoxycarbonylamino)-(4-fluorophenyl)methyl]-2-oxo-3-phenyl-indoline-1-carboxylate CAS Name: (3S)-3-[(4-fluorophenyl)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-oxo-3-phenyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(4-fluorophenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-3-phenylindole-1-carboxylate Traditional Name: (3S)-3-[(tert-butoxycarbonylamino)-(4-fluorophenyl)methyl]-2-keto-3-phenyl-indoline-1-carboxylic acid tert-butyl ester Formula: C31H33FN2O5 MolecularWeight: 532.602523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)F)C2(C3=CC=CC=C3N(C2=O)C(=O)OC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)F)[C@@]2(C3=CC=CC=C3N(C2=O)C(=O)OC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C31H33FN2O5/c1-29(2,3)38-27(36)33-25(20-16-18-22(32)19-17-20)31(21-12-8-7-9-13-21)23-14-10-11-15-24(23)34(26(31)35)28(37)39-30(4,5)6/h7-19,25H,1-6H3,(H,33,36)/t25?,31-/m0/s1