(2-methylpropan-2-yl)oxycarbonyl 2-phenethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pyrrolidine-1-carboxylate

Systemtic Name: (2-methylpropan-2-yl)oxycarbonyl 2-phenethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pyrrolidine-1-carboxylate Openeye Name: tert-butoxycarbonyl 2-phenethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pyrrolidine-1-carboxylate CAS Name: 2-phenethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1-pyrrolidinecarboxylic acid [(2-methylpropan-2-yl)oxy-oxomethyl] ester IUPAC Name: (2-methylpropan-2-yl)oxycarbonyl 2-phenethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pyrrolidine-1-carboxylate Traditional Name: 2-phenethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pyrrolidine-1-carboxylic acid tert-butoxycarbonyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC(=O)N1C(CCC1C2CC3=CC=CC=C3CN2)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)OC(=O)N1C(CCC1C2CC3=CC=CC=C3CN2)CCC4=CC=CC=C4

InChI

InChI=1S/C27H34N2O4/c1-27(2,3)33-26(31)32-25(30)29-22(14-13-19-9-5-4-6-10-19)15-16-24(29)23-17-20-11-7-8-12-21(20)18-28-23/h4-12,22-24,28H,13-18H2,1-3H3