tert-butyl 2-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)phenyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)phenyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[4-(3-oxo-3-pyrrolidin-1-yl-propyl)phenyl]pyrrole-1-carboxylate CAS Name: 2-[4-[3-oxo-3-(1-pyrrolidinyl)propyl]phenyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pyrrole-1-carboxylate Traditional Name: 2-[4-(3-keto-3-pyrrolidino-propyl)phenyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC=C1C2=CC=C(C=C2)CCC(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC=C1C2=CC=C(C=C2)CCC(=O)N3CCCC3

InChI

InChI=1S/C22H28N2O3/c1-22(2,3)27-21(26)24-16-6-7-19(24)18-11-8-17(9-12-18)10-13-20(25)23-14-4-5-15-23/h6-9,11-12,16H,4-5,10,13-15H2,1-3H3