methyl 5-tert-butyl-2-phenyl-1-[(2S)-2-(phenylmethoxycarbonylamino)propyl]pyrrole-3-carboxylate

Systemtic Name: methyl 5-tert-butyl-2-phenyl-1-[(2S)-2-(phenylmethoxycarbonylamino)propyl]pyrrole-3-carboxylate Openeye Name: methyl 1-[(2S)-2-(benzyloxycarbonylamino)propyl]-5-tert-butyl-2-phenyl-pyrrole-3-carboxylate CAS Name: 5-tert-butyl-2-phenyl-1-[(2S)-2-(phenylmethoxycarbonylamino)propyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-2-phenyl-1-[(2S)-2-(phenylmethoxycarbonylamino)propyl]pyrrole-3-carboxylate Traditional Name: 1-[(2S)-2-(benzyloxycarbonylamino)propyl]-5-tert-butyl-2-phenyl-pyrrole-3-carboxylic acid methyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=CC(=C1C2=CC=CC=C2)C(=O)OC)C(C)(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](CN1C(=CC(=C1C2=CC=CC=C2)C(=O)OC)C(C)(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H32N2O4/c1-19(28-26(31)33-18-20-12-8-6-9-13-20)17-29-23(27(2,3)4)16-22(25(30)32-5)24(29)21-14-10-7-11-15-21/h6-16,19H,17-18H2,1-5H3,(H,28,31)/t19-/m0/s1