tert-butyl carbamate; tert-butyl 2-[oxidanyl(phenyl)methyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl carbamate; tert-butyl 2-[oxidanyl(phenyl)methyl]pyrrole-1-carboxylate Openeye Name: tert-butyl carbamate; tert-butyl 2-[hydroxy(phenyl)methyl]pyrrole-1-carboxylate CAS Name: carbamic acid tert-butyl ester; 2-[hydroxy(phenyl)methyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl carbamate; tert-butyl 2-[hydroxy(phenyl)methyl]pyrrole-1-carboxylate Traditional Name: carbamic acid tert-butyl ester; 2-[hydroxy(phenyl)methyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N.CC(C)(C)OC(=O)N1C=CC=C1C(C2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N.CC(C)(C)OC(=O)N1C=CC=C1C(C2=CC=CC=C2)O

InChI

InChI=1S/C16H19NO3.C5H11NO2/c1-16(2,3)20-15(19)17-11-7-10-13(17)14(18)12-8-5-4-6-9-12;1-5(2,3)8-4(6)7/h4-11,14,18H,1-3H3;1-3H3,(H2,6,7)