tert-butyl 4-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]indole-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]indole-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl]indole-1-carboxylate CAS Name: 4-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]indole-1-carboxylate Traditional Name: 4-[(2S)-2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propyl]indole-1-carboxylic acid tert-butyl ester Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C(C=CC=C21)CC(C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C(C=CC=C21)C[C@@H](C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O6/c1-25(2,3)33-24(30)27-14-13-19-18(11-8-12-21(19)27)15-20(22(28)31-4)26-23(29)32-16-17-9-6-5-7-10-17/h5-14,20H,15-16H2,1-4H3,(H,26,29)/t20-/m0/s1